From ef2197762d7dc482ba8d59b79d8189667467e6c5 Mon Sep 17 00:00:00 2001 From: edoapra Date: Thu, 21 Nov 2024 17:08:37 -0800 Subject: [PATCH] modified entries for BSE Version 0.11.dev17+g4fabcd53 --- src/basis/libraries.bse/2zapa-nr | 4 ++-- src/basis/libraries.bse/2zapa-nr-autoaux | 4 ++-- src/basis/libraries.bse/2zapa-nr-cv | 4 ++-- src/basis/libraries.bse/2zapa-nr-cv-autoaux | 4 ++-- src/basis/libraries.bse/3-21g | 4 ++-- src/basis/libraries.bse/3-21g-autoaux | 4 ++-- src/basis/libraries.bse/3zapa-nr | 4 ++-- src/basis/libraries.bse/3zapa-nr-autoaux | 4 ++-- src/basis/libraries.bse/3zapa-nr-cv | 4 ++-- src/basis/libraries.bse/3zapa-nr-cv-autoaux | 4 ++-- src/basis/libraries.bse/4-31g | 4 ++-- src/basis/libraries.bse/4-31g-autoaux | 4 ++-- src/basis/libraries.bse/4zapa-nr | 4 ++-- src/basis/libraries.bse/4zapa-nr-autoaux | 4 ++-- src/basis/libraries.bse/4zapa-nr-cv | 4 ++-- src/basis/libraries.bse/4zapa-nr-cv-autoaux | 4 ++-- src/basis/libraries.bse/5-21g | 4 ++-- src/basis/libraries.bse/5-21g-autoaux | 4 ++-- src/basis/libraries.bse/5zapa-nr | 4 ++-- src/basis/libraries.bse/5zapa-nr-autoaux | 4 ++-- src/basis/libraries.bse/5zapa-nr-cv | 4 ++-- src/basis/libraries.bse/5zapa-nr-cv-autoaux | 4 ++-- src/basis/libraries.bse/6-21g | 4 ++-- src/basis/libraries.bse/6-21g-autoaux | 4 ++-- src/basis/libraries.bse/6-31++g | 4 ++-- src/basis/libraries.bse/6-31++g-autoaux | 4 ++-- src/basis/libraries.bse/6-31++gs | 4 ++-- src/basis/libraries.bse/6-31++gs-autoaux | 4 ++-- src/basis/libraries.bse/6-31++gss | 4 ++-- src/basis/libraries.bse/6-31++gss-autoaux | 4 ++-- src/basis/libraries.bse/6-31++gss-j | 4 ++-- src/basis/libraries.bse/6-31++gss-j-autoaux | 4 ++-- src/basis/libraries.bse/6-31+g | 4 ++-- src/basis/libraries.bse/6-31+g-autoaux | 4 ++-- src/basis/libraries.bse/6-31+gs | 4 ++-- src/basis/libraries.bse/6-31+gs-autoaux | 4 ++-- src/basis/libraries.bse/6-31+gs-j | 4 ++-- src/basis/libraries.bse/6-31+gs-j-autoaux | 4 ++-- src/basis/libraries.bse/6-31+gss | 4 ++-- src/basis/libraries.bse/6-31+gss-autoaux | 4 ++-- src/basis/libraries.bse/6-311++g | 4 ++-- src/basis/libraries.bse/6-311++g-autoaux | 4 ++-- src/basis/libraries.bse/6-311++g2d_2p | 4 ++-- src/basis/libraries.bse/6-311++g2d_2p-autoaux | 4 ++-- src/basis/libraries.bse/6-311++g3df_3pd | 4 ++-- src/basis/libraries.bse/6-311++g3df_3pd-autoaux | 4 ++-- src/basis/libraries.bse/6-311++gs | 4 ++-- src/basis/libraries.bse/6-311++gs-autoaux | 4 ++-- src/basis/libraries.bse/6-311++gss | 4 ++-- src/basis/libraries.bse/6-311++gss-autoaux | 4 ++-- src/basis/libraries.bse/6-311++gss-j | 4 ++-- src/basis/libraries.bse/6-311++gss-j-autoaux | 4 ++-- src/basis/libraries.bse/6-311+g | 4 ++-- src/basis/libraries.bse/6-311+g-autoaux | 4 ++-- src/basis/libraries.bse/6-311+g2d_p | 4 ++-- src/basis/libraries.bse/6-311+g2d_p-autoaux | 4 ++-- src/basis/libraries.bse/6-311+gs | 4 ++-- src/basis/libraries.bse/6-311+gs-autoaux | 4 ++-- src/basis/libraries.bse/6-311+gs-j | 4 ++-- src/basis/libraries.bse/6-311+gs-j-autoaux | 4 ++-- src/basis/libraries.bse/6-311+gss | 4 ++-- src/basis/libraries.bse/6-311+gss-autoaux | 4 ++-- src/basis/libraries.bse/6-311g | 4 ++-- src/basis/libraries.bse/6-311g-autoaux | 4 ++-- src/basis/libraries.bse/6-311g-j | 4 ++-- src/basis/libraries.bse/6-311g-j-autoaux | 4 ++-- src/basis/libraries.bse/6-311g2df_2pd | 4 ++-- src/basis/libraries.bse/6-311g2df_2pd-autoaux | 4 ++-- src/basis/libraries.bse/6-311gd_p | 4 ++-- src/basis/libraries.bse/6-311gd_p-autoaux | 4 ++-- src/basis/libraries.bse/6-311gs | 4 ++-- src/basis/libraries.bse/6-311gs-autoaux | 4 ++-- src/basis/libraries.bse/6-311gss | 4 ++-- src/basis/libraries.bse/6-311gss-autoaux | 4 ++-- src/basis/libraries.bse/6-311gss-rifit | 4 ++-- src/basis/libraries.bse/6-311xxgd_p | 4 ++-- src/basis/libraries.bse/6-311xxgd_p-autoaux | 4 ++-- src/basis/libraries.bse/6-31g | 4 ++-- src/basis/libraries.bse/6-31g-autoaux | 4 ++-- src/basis/libraries.bse/6-31g-blaudeau | 4 ++-- src/basis/libraries.bse/6-31g-blaudeau-autoaux | 4 ++-- src/basis/libraries.bse/6-31g-j | 4 ++-- src/basis/libraries.bse/6-31g-j-autoaux | 4 ++-- src/basis/libraries.bse/6-31g2df_p | 4 ++-- src/basis/libraries.bse/6-31g2df_p-autoaux | 4 ++-- src/basis/libraries.bse/6-31g3df_3pd | 4 ++-- src/basis/libraries.bse/6-31g3df_3pd-autoaux | 4 ++-- src/basis/libraries.bse/6-31gd_p | 4 ++-- src/basis/libraries.bse/6-31gd_p-autoaux | 4 ++-- src/basis/libraries.bse/6-31gs | 4 ++-- src/basis/libraries.bse/6-31gs-autoaux | 4 ++-- src/basis/libraries.bse/6-31gs-blaudeau | 4 ++-- src/basis/libraries.bse/6-31gs-blaudeau-autoaux | 4 ++-- src/basis/libraries.bse/6-31gss | 4 ++-- src/basis/libraries.bse/6-31gss-autoaux | 4 ++-- src/basis/libraries.bse/6-31gss-rifit | 4 ++-- src/basis/libraries.bse/6zapa-nr | 4 ++-- src/basis/libraries.bse/6zapa-nr-autoaux | 4 ++-- src/basis/libraries.bse/7zapa-nr | 4 ++-- src/basis/libraries.bse/7zapa-nr-autoaux | 4 ++-- src/basis/libraries.bse/acv2z-j | 4 ++-- src/basis/libraries.bse/acv2z-j-autoaux | 4 ++-- src/basis/libraries.bse/acv3z-j | 4 ++-- src/basis/libraries.bse/acv3z-j-autoaux | 4 ++-- src/basis/libraries.bse/acv4z-j | 4 ++-- src/basis/libraries.bse/acv4z-j-autoaux | 4 ++-- src/basis/libraries.bse/admm-1 | 4 ++-- src/basis/libraries.bse/admm-2 | 4 ++-- src/basis/libraries.bse/admm-3 | 4 ++-- src/basis/libraries.bse/ahgbs-5 | 4 ++-- src/basis/libraries.bse/ahgbs-5-autoaux | 4 ++-- src/basis/libraries.bse/ahgbs-7 | 4 ++-- src/basis/libraries.bse/ahgbs-7-autoaux | 4 ++-- src/basis/libraries.bse/ahgbs-9 | 4 ++-- src/basis/libraries.bse/ahgbs-9-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp1-5 | 4 ++-- src/basis/libraries.bse/ahgbsp1-5-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp1-7 | 4 ++-- src/basis/libraries.bse/ahgbsp1-7-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp1-9 | 4 ++-- src/basis/libraries.bse/ahgbsp1-9-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp2-5 | 4 ++-- src/basis/libraries.bse/ahgbsp2-5-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp2-7 | 4 ++-- src/basis/libraries.bse/ahgbsp2-7-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp2-9 | 4 ++-- src/basis/libraries.bse/ahgbsp2-9-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp3-5 | 4 ++-- src/basis/libraries.bse/ahgbsp3-5-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp3-7 | 4 ++-- src/basis/libraries.bse/ahgbsp3-7-autoaux | 4 ++-- src/basis/libraries.bse/ahgbsp3-9 | 4 ++-- src/basis/libraries.bse/ahgbsp3-9-autoaux | 4 ++-- src/basis/libraries.bse/ahlrichs_pvdz | 4 ++-- src/basis/libraries.bse/ahlrichs_pvdz-autoaux | 4 ++-- src/basis/libraries.bse/ahlrichs_tzv | 4 ++-- src/basis/libraries.bse/ahlrichs_tzv-autoaux | 4 ++-- src/basis/libraries.bse/ahlrichs_vdz | 4 ++-- src/basis/libraries.bse/ahlrichs_vdz-autoaux | 4 ++-- src/basis/libraries.bse/ahlrichs_vtz | 4 ++-- src/basis/libraries.bse/ahlrichs_vtz-autoaux | 4 ++-- src/basis/libraries.bse/ano-dk3 | 4 ++-- src/basis/libraries.bse/ano-dk3-autoaux | 4 ++-- src/basis/libraries.bse/ano-r | 4 ++-- src/basis/libraries.bse/ano-r-autoaux | 4 ++-- src/basis/libraries.bse/ano-r0 | 4 ++-- src/basis/libraries.bse/ano-r0-autoaux | 4 ++-- src/basis/libraries.bse/ano-r1 | 4 ++-- src/basis/libraries.bse/ano-r1-autoaux | 4 ++-- src/basis/libraries.bse/ano-r2 | 4 ++-- src/basis/libraries.bse/ano-r2-autoaux | 4 ++-- src/basis/libraries.bse/ano-r3 | 4 ++-- src/basis/libraries.bse/ano-r3-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc | 6 +++--- src/basis/libraries.bse/ano-rcc-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc-mb | 6 +++--- src/basis/libraries.bse/ano-rcc-mb-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc-vdz | 6 +++--- src/basis/libraries.bse/ano-rcc-vdz-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc-vdzp | 6 +++--- src/basis/libraries.bse/ano-rcc-vdzp-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc-vqzp | 6 +++--- src/basis/libraries.bse/ano-rcc-vqzp-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc-vtz | 4 ++-- src/basis/libraries.bse/ano-rcc-vtz-autoaux | 4 ++-- src/basis/libraries.bse/ano-rcc-vtzp | 6 +++--- src/basis/libraries.bse/ano-rcc-vtzp-autoaux | 4 ++-- src/basis/libraries.bse/ano-vt-dz | 4 ++-- src/basis/libraries.bse/ano-vt-dz-autoaux | 4 ++-- src/basis/libraries.bse/ano-vt-qz | 4 ++-- src/basis/libraries.bse/ano-vt-qz-autoaux | 4 ++-- src/basis/libraries.bse/ano-vt-tz | 4 ++-- src/basis/libraries.bse/ano-vt-tz-autoaux | 4 ++-- src/basis/libraries.bse/apr-cc-pvq+dz | 4 ++-- src/basis/libraries.bse/apr-cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/atzp-zora | 4 ++-- src/basis/libraries.bse/atzp-zora-autoaux | 4 ++-- src/basis/libraries.bse/aug-admm-1 | 4 ++-- src/basis/libraries.bse/aug-admm-2 | 4 ++-- src/basis/libraries.bse/aug-admm-3 | 4 ++-- src/basis/libraries.bse/aug-cc-pcv5z | 4 ++-- src/basis/libraries.bse/aug-cc-pcv5z-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pcvdz | 4 ++-- src/basis/libraries.bse/aug-cc-pcvdz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pcvdz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pcvdz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pcvqz | 4 ++-- src/basis/libraries.bse/aug-cc-pcvqz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pcvqz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pcvqz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pcvtz | 4 ++-- src/basis/libraries.bse/aug-cc-pcvtz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pcvtz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pcvtz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pv5+dz | 4 ++-- src/basis/libraries.bse/aug-cc-pv5+dz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pv5z-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pv6z | 4 ++-- src/basis/libraries.bse/aug-cc-pv6z-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pv6z-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pv7z | 4 ++-- src/basis/libraries.bse/aug-cc-pv7z-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvd+dz | 4 ++-- src/basis/libraries.bse/aug-cc-pvd+dz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-dk3 | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-x2c | 4 ++-- src/basis/libraries.bse/aug-cc-pvdz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvq+dz | 4 ++-- src/basis/libraries.bse/aug-cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-dk3 | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-x2c | 4 ++-- src/basis/libraries.bse/aug-cc-pvqz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvt+dz | 4 ++-- src/basis/libraries.bse/aug-cc-pvt+dz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-dk3 | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-j | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-j-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-x2c | 4 ++-- src/basis/libraries.bse/aug-cc-pvtz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcv5z-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-dk3 | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-x2c | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvdz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-dk3 | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-x2c | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvqz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-dk | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-dk-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-dk3 | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-pp | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-pp-autoaux | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-pp-optri | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-pp-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-rifit | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-x2c | 4 ++-- src/basis/libraries.bse/aug-cc-pwcvtz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/aug-ccx-5z | 4 ++-- src/basis/libraries.bse/aug-ccx-5z-autoaux | 4 ++-- src/basis/libraries.bse/aug-ccx-dz | 4 ++-- src/basis/libraries.bse/aug-ccx-dz-autoaux | 4 ++-- src/basis/libraries.bse/aug-ccx-qz | 4 ++-- src/basis/libraries.bse/aug-ccx-qz-autoaux | 4 ++-- src/basis/libraries.bse/aug-ccx-tz | 4 ++-- src/basis/libraries.bse/aug-ccx-tz-autoaux | 4 ++-- src/basis/libraries.bse/aug-mcc-pv5z | 4 ++-- src/basis/libraries.bse/aug-mcc-pv5z-autoaux | 4 ++-- src/basis/libraries.bse/aug-mcc-pv6z | 4 ++-- src/basis/libraries.bse/aug-mcc-pv6z-autoaux | 4 ++-- src/basis/libraries.bse/aug-mcc-pv7z | 4 ++-- src/basis/libraries.bse/aug-mcc-pv7z-autoaux | 4 ++-- src/basis/libraries.bse/aug-mcc-pv8z | 4 ++-- src/basis/libraries.bse/aug-mcc-pv8z-autoaux | 4 ++-- src/basis/libraries.bse/aug-mcc-pvqz | 4 ++-- src/basis/libraries.bse/aug-mcc-pvqz-autoaux | 4 ++-- src/basis/libraries.bse/aug-mcc-pvtz | 4 ++-- src/basis/libraries.bse/aug-mcc-pvtz-autoaux | 4 ++-- src/basis/libraries.bse/aug-pc-0 | 4 ++-- src/basis/libraries.bse/aug-pc-0-autoaux | 4 ++-- src/basis/libraries.bse/aug-pc-1 | 4 ++-- src/basis/libraries.bse/aug-pc-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pc-2 | 4 ++-- src/basis/libraries.bse/aug-pc-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pc-3 | 4 ++-- src/basis/libraries.bse/aug-pc-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pc-4 | 4 ++-- src/basis/libraries.bse/aug-pc-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pch-1 | 4 ++-- src/basis/libraries.bse/aug-pch-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pch-2 | 4 ++-- src/basis/libraries.bse/aug-pch-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pch-3 | 4 ++-- src/basis/libraries.bse/aug-pch-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pch-4 | 4 ++-- src/basis/libraries.bse/aug-pch-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-0 | 4 ++-- src/basis/libraries.bse/aug-pcj-0-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-0_2006 | 4 ++-- src/basis/libraries.bse/aug-pcj-0_2006-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-1 | 4 ++-- src/basis/libraries.bse/aug-pcj-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-1_2006 | 4 ++-- src/basis/libraries.bse/aug-pcj-1_2006-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-2 | 4 ++-- src/basis/libraries.bse/aug-pcj-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-2_2006 | 4 ++-- src/basis/libraries.bse/aug-pcj-2_2006-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-3 | 4 ++-- src/basis/libraries.bse/aug-pcj-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-3_2006 | 4 ++-- src/basis/libraries.bse/aug-pcj-3_2006-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-4 | 4 ++-- src/basis/libraries.bse/aug-pcj-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcj-4_2006 | 4 ++-- src/basis/libraries.bse/aug-pcj-4_2006-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcs-0 | 4 ++-- src/basis/libraries.bse/aug-pcs-0-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcs-1 | 4 ++-- src/basis/libraries.bse/aug-pcs-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcs-2 | 4 ++-- src/basis/libraries.bse/aug-pcs-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcs-3 | 4 ++-- src/basis/libraries.bse/aug-pcs-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcs-4 | 4 ++-- src/basis/libraries.bse/aug-pcs-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcseg-0 | 4 ++-- src/basis/libraries.bse/aug-pcseg-0-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcseg-1 | 4 ++-- src/basis/libraries.bse/aug-pcseg-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcseg-2 | 4 ++-- src/basis/libraries.bse/aug-pcseg-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcseg-3 | 4 ++-- src/basis/libraries.bse/aug-pcseg-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcseg-4 | 4 ++-- src/basis/libraries.bse/aug-pcseg-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcsseg-0 | 4 ++-- src/basis/libraries.bse/aug-pcsseg-0-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcsseg-1 | 4 ++-- src/basis/libraries.bse/aug-pcsseg-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcsseg-2 | 4 ++-- src/basis/libraries.bse/aug-pcsseg-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcsseg-3 | 4 ++-- src/basis/libraries.bse/aug-pcsseg-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcsseg-4 | 4 ++-- src/basis/libraries.bse/aug-pcsseg-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcx-1 | 4 ++-- src/basis/libraries.bse/aug-pcx-1-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcx-2 | 4 ++-- src/basis/libraries.bse/aug-pcx-2-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcx-3 | 4 ++-- src/basis/libraries.bse/aug-pcx-3-autoaux | 4 ++-- src/basis/libraries.bse/aug-pcx-4 | 4 ++-- src/basis/libraries.bse/aug-pcx-4-autoaux | 4 ++-- src/basis/libraries.bse/aug-pv7z | 4 ++-- src/basis/libraries.bse/aug-pv7z-autoaux | 4 ++-- src/basis/libraries.bse/binning_641 | 4 ++-- src/basis/libraries.bse/binning_641+ | 4 ++-- src/basis/libraries.bse/binning_641+-autoaux | 4 ++-- src/basis/libraries.bse/binning_641+d | 4 ++-- src/basis/libraries.bse/binning_641+d-autoaux | 4 ++-- src/basis/libraries.bse/binning_641+df | 4 ++-- src/basis/libraries.bse/binning_641+df-autoaux | 4 ++-- src/basis/libraries.bse/binning_641-autoaux | 4 ++-- src/basis/libraries.bse/binning_641d | 4 ++-- src/basis/libraries.bse/binning_641d-autoaux | 4 ++-- src/basis/libraries.bse/binning_641df | 4 ++-- src/basis/libraries.bse/binning_641df-autoaux | 4 ++-- src/basis/libraries.bse/binning_962 | 4 ++-- src/basis/libraries.bse/binning_962+ | 4 ++-- src/basis/libraries.bse/binning_962+-autoaux | 4 ++-- src/basis/libraries.bse/binning_962+d | 4 ++-- src/basis/libraries.bse/binning_962+d-autoaux | 4 ++-- src/basis/libraries.bse/binning_962+df | 4 ++-- src/basis/libraries.bse/binning_962+df-autoaux | 4 ++-- src/basis/libraries.bse/binning_962-autoaux | 4 ++-- src/basis/libraries.bse/binning_962d | 4 ++-- src/basis/libraries.bse/binning_962d-autoaux | 4 ++-- src/basis/libraries.bse/binning_962df | 4 ++-- src/basis/libraries.bse/binning_962df-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcv5z | 4 ++-- src/basis/libraries.bse/cc-pcv5z-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvdz | 4 ++-- src/basis/libraries.bse/cc-pcvdz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvdz-dk | 4 ++-- src/basis/libraries.bse/cc-pcvdz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvdz-f12 | 4 ++-- src/basis/libraries.bse/cc-pcvdz-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvdz-f12-optri | 4 ++-- src/basis/libraries.bse/cc-pcvdz-f12-rifit | 4 ++-- src/basis/libraries.bse/cc-pcvqz | 4 ++-- src/basis/libraries.bse/cc-pcvqz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvqz-dk | 4 ++-- src/basis/libraries.bse/cc-pcvqz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvqz-f12 | 4 ++-- src/basis/libraries.bse/cc-pcvqz-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvqz-f12-optri | 4 ++-- src/basis/libraries.bse/cc-pcvqz-f12-rifit | 4 ++-- src/basis/libraries.bse/cc-pcvtz | 4 ++-- src/basis/libraries.bse/cc-pcvtz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvtz-dk | 4 ++-- src/basis/libraries.bse/cc-pcvtz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvtz-f12 | 4 ++-- src/basis/libraries.bse/cc-pcvtz-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pcvtz-f12-optri | 4 ++-- src/basis/libraries.bse/cc-pcvtz-f12-rifit | 4 ++-- src/basis/libraries.bse/cc-pv5+dz | 4 ++-- src/basis/libraries.bse/cc-pv5+dz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5z | 4 ++-- src/basis/libraries.bse/cc-pv5z-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5z-dk | 4 ++-- src/basis/libraries.bse/cc-pv5z-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5z-f12 | 4 ++-- src/basis/libraries.bse/cc-pv5z-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5z-f12rev2 | 4 ++-- src/basis/libraries.bse/cc-pv5z-f12rev2-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5z-jkfit | 4 ++-- src/basis/libraries.bse/cc-pv5z-pp | 4 ++-- src/basis/libraries.bse/cc-pv5z-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5z-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pv5z-rifit | 4 ++-- src/basis/libraries.bse/cc-pv5zfi_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pv5zfi_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5zfi_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pv5zfi_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5zfi_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pv5zfi_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5zpt_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pv5zpt_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5zpt_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pv5zpt_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv5zpt_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pv5zpt_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv6z | 4 ++-- src/basis/libraries.bse/cc-pv6z-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv6z-rifit | 4 ++-- src/basis/libraries.bse/cc-pv8z | 4 ++-- src/basis/libraries.bse/cc-pv8z-autoaux | 4 ++-- src/basis/libraries.bse/cc-pv9z | 4 ++-- src/basis/libraries.bse/cc-pv9z-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvd+dz | 4 ++-- src/basis/libraries.bse/cc-pvd+dz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz | 4 ++-- src/basis/libraries.bse/cc-pvdz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz-dk | 4 ++-- src/basis/libraries.bse/cc-pvdz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz-dk3 | 4 ++-- src/basis/libraries.bse/cc-pvdz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz-f12 | 4 ++-- src/basis/libraries.bse/cc-pvdz-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz-f12-optri | 4 ++-- src/basis/libraries.bse/cc-pvdz-f12rev2 | 4 ++-- src/basis/libraries.bse/cc-pvdz-f12rev2-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz-pp | 4 ++-- src/basis/libraries.bse/cc-pvdz-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdz-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pvdz-rifit | 4 ++-- src/basis/libraries.bse/cc-pvdz-x2c | 4 ++-- src/basis/libraries.bse/cc-pvdz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzfi_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pvdzfi_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzfi_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pvdzfi_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzfi_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pvdzfi_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzpt_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pvdzpt_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzpt_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pvdzpt_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzpt_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pvdzpt_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvdzseg-opt | 4 ++-- src/basis/libraries.bse/cc-pvdzseg-opt-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvq+dz | 4 ++-- src/basis/libraries.bse/cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz | 4 ++-- src/basis/libraries.bse/cc-pvqz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz-dk | 4 ++-- src/basis/libraries.bse/cc-pvqz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz-dk3 | 4 ++-- src/basis/libraries.bse/cc-pvqz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz-f12 | 4 ++-- src/basis/libraries.bse/cc-pvqz-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz-f12-optri | 4 ++-- src/basis/libraries.bse/cc-pvqz-f12rev2 | 4 ++-- src/basis/libraries.bse/cc-pvqz-f12rev2-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz-jkfit | 4 ++-- src/basis/libraries.bse/cc-pvqz-pp | 4 ++-- src/basis/libraries.bse/cc-pvqz-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqz-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pvqz-rifit | 4 ++-- src/basis/libraries.bse/cc-pvqz-x2c | 4 ++-- src/basis/libraries.bse/cc-pvqz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzfi_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pvqzfi_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzfi_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pvqzfi_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzfi_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pvqzfi_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzpt_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pvqzpt_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzpt_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pvqzpt_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzpt_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pvqzpt_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvqzseg-opt | 4 ++-- src/basis/libraries.bse/cc-pvqzseg-opt-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvt+dz | 4 ++-- src/basis/libraries.bse/cc-pvt+dz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz | 4 ++-- src/basis/libraries.bse/cc-pvtz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz-dk | 4 ++-- src/basis/libraries.bse/cc-pvtz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz-dk3 | 4 ++-- src/basis/libraries.bse/cc-pvtz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz-f12 | 4 ++-- src/basis/libraries.bse/cc-pvtz-f12-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz-f12-optri | 4 ++-- src/basis/libraries.bse/cc-pvtz-f12rev2 | 4 ++-- src/basis/libraries.bse/cc-pvtz-f12rev2-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz-jkfit | 4 ++-- src/basis/libraries.bse/cc-pvtz-pp | 4 ++-- src/basis/libraries.bse/cc-pvtz-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtz-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pvtz-rifit | 4 ++-- src/basis/libraries.bse/cc-pvtz-x2c | 4 ++-- src/basis/libraries.bse/cc-pvtz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzfi_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pvtzfi_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzfi_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pvtzfi_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzfi_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pvtzfi_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzpt_sf_fw | 4 ++-- src/basis/libraries.bse/cc-pvtzpt_sf_fw-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzpt_sf_lc | 4 ++-- src/basis/libraries.bse/cc-pvtzpt_sf_lc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzpt_sf_sc | 4 ++-- src/basis/libraries.bse/cc-pvtzpt_sf_sc-autoaux | 4 ++-- src/basis/libraries.bse/cc-pvtzseg-opt | 4 ++-- src/basis/libraries.bse/cc-pvtzseg-opt-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcv5z | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-dk | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-pp | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcv5z-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvdz | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-dk3 | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-pp | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-x2c | 4 ++-- src/basis/libraries.bse/cc-pwcvdz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvqz | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-dk | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-dk3 | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-pp | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-x2c | 4 ++-- src/basis/libraries.bse/cc-pwcvqz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvtz | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-dk | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-dk-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-dk3 | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-dk3-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-pp | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-pp-autoaux | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-pp-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-rifit | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-x2c | 4 ++-- src/basis/libraries.bse/cc-pwcvtz-x2c-autoaux | 4 ++-- src/basis/libraries.bse/ccemd-2 | 4 ++-- src/basis/libraries.bse/ccemd-2-autoaux | 4 ++-- src/basis/libraries.bse/ccemd-3 | 4 ++-- src/basis/libraries.bse/ccemd-3-autoaux | 4 ++-- src/basis/libraries.bse/ccj-pv5z | 4 ++-- src/basis/libraries.bse/ccj-pv5z-autoaux | 4 ++-- src/basis/libraries.bse/ccj-pvdz | 4 ++-- src/basis/libraries.bse/ccj-pvdz-autoaux | 4 ++-- src/basis/libraries.bse/ccj-pvqz | 4 ++-- src/basis/libraries.bse/ccj-pvqz-autoaux | 4 ++-- src/basis/libraries.bse/ccj-pvtz | 4 ++-- src/basis/libraries.bse/ccj-pvtz-autoaux | 4 ++-- src/basis/libraries.bse/ccx-5z | 4 ++-- src/basis/libraries.bse/ccx-5z-autoaux | 4 ++-- src/basis/libraries.bse/ccx-dz | 4 ++-- src/basis/libraries.bse/ccx-dz-autoaux | 4 ++-- src/basis/libraries.bse/ccx-qz | 4 ++-- src/basis/libraries.bse/ccx-qz-autoaux | 4 ++-- src/basis/libraries.bse/ccx-tz | 4 ++-- src/basis/libraries.bse/ccx-tz-autoaux | 4 ++-- src/basis/libraries.bse/coemd-2 | 4 ++-- src/basis/libraries.bse/coemd-2-autoaux | 4 ++-- src/basis/libraries.bse/coemd-3 | 4 ++-- src/basis/libraries.bse/coemd-3-autoaux | 4 ++-- src/basis/libraries.bse/coemd-4 | 4 ++-- src/basis/libraries.bse/coemd-4-autoaux | 4 ++-- src/basis/libraries.bse/coemd-ref | 4 ++-- src/basis/libraries.bse/coemd-ref-autoaux | 4 ++-- src/basis/libraries.bse/cologne_dkh2 | 4 ++-- src/basis/libraries.bse/cologne_dkh2-autoaux | 4 ++-- src/basis/libraries.bse/crenbl | 6 +++--- src/basis/libraries.bse/crenbl-autoaux | 4 ++-- src/basis/libraries.bse/crenbl_ecp | 6 +++--- src/basis/libraries.bse/crenbl_ecp-autoaux | 4 ++-- src/basis/libraries.bse/crenbs | 6 +++--- src/basis/libraries.bse/crenbs-autoaux | 4 ++-- src/basis/libraries.bse/crenbs_ecp | 6 +++--- src/basis/libraries.bse/crenbs_ecp-autoaux | 4 ++-- src/basis/libraries.bse/d-aug-cc-pv5z | 4 ++-- src/basis/libraries.bse/d-aug-cc-pv5z-autoaux | 4 ++-- src/basis/libraries.bse/d-aug-cc-pv6z | 4 ++-- src/basis/libraries.bse/d-aug-cc-pv6z-autoaux | 4 ++-- src/basis/libraries.bse/d-aug-cc-pvdz | 4 ++-- src/basis/libraries.bse/d-aug-cc-pvdz-autoaux | 4 ++-- src/basis/libraries.bse/d-aug-cc-pvqz | 4 ++-- src/basis/libraries.bse/d-aug-cc-pvqz-autoaux | 4 ++-- src/basis/libraries.bse/d-aug-cc-pvtz | 4 ++-- src/basis/libraries.bse/d-aug-cc-pvtz-autoaux | 4 ++-- src/basis/libraries.bse/def2-ecp | 4 ++-- src/basis/libraries.bse/def2-ecp-autoaux | 4 ++-- src/basis/libraries.bse/def2-qzvp | 4 ++-- src/basis/libraries.bse/def2-qzvp-autoaux | 4 ++-- src/basis/libraries.bse/def2-qzvp-rifit | 4 ++-- src/basis/libraries.bse/def2-qzvpd | 4 ++-- src/basis/libraries.bse/def2-qzvpd-autoaux | 4 ++-- src/basis/libraries.bse/def2-qzvpp | 4 ++-- src/basis/libraries.bse/def2-qzvpp-autoaux | 4 ++-- src/basis/libraries.bse/def2-qzvpp-rifit | 4 ++-- src/basis/libraries.bse/def2-qzvppd | 4 ++-- src/basis/libraries.bse/def2-qzvppd-autoaux | 4 ++-- src/basis/libraries.bse/def2-qzvppd-rifit | 4 ++-- src/basis/libraries.bse/def2-svp | 4 ++-- src/basis/libraries.bse/def2-svp-autoaux | 4 ++-- src/basis/libraries.bse/def2-svp-jkfit | 4 ++-- src/basis/libraries.bse/def2-svp-rifit | 4 ++-- src/basis/libraries.bse/def2-svpd | 4 ++-- src/basis/libraries.bse/def2-svpd-autoaux | 4 ++-- src/basis/libraries.bse/def2-svpd-rifit | 4 ++-- src/basis/libraries.bse/def2-tzvp | 4 ++-- src/basis/libraries.bse/def2-tzvp-autoaux | 4 ++-- src/basis/libraries.bse/def2-tzvp-rifit | 4 ++-- src/basis/libraries.bse/def2-tzvpd | 4 ++-- src/basis/libraries.bse/def2-tzvpd-autoaux | 4 ++-- src/basis/libraries.bse/def2-tzvpd-rifit | 4 ++-- src/basis/libraries.bse/def2-tzvpp | 4 ++-- src/basis/libraries.bse/def2-tzvpp-autoaux | 4 ++-- src/basis/libraries.bse/def2-tzvpp-rifit | 4 ++-- src/basis/libraries.bse/def2-tzvppd | 4 ++-- src/basis/libraries.bse/def2-tzvppd-autoaux | 4 ++-- src/basis/libraries.bse/def2-tzvppd-rifit | 4 ++-- src/basis/libraries.bse/def2-universal-jfit | 4 ++-- src/basis/libraries.bse/def2-universal-jkfit | 4 ++-- src/basis/libraries.bse/demon2k-dzvp-gga | 4 ++-- src/basis/libraries.bse/demon2k-dzvp-gga-autoaux | 4 ++-- src/basis/libraries.bse/dfo+-nrlmol | 4 ++-- src/basis/libraries.bse/dfo+-nrlmol-autoaux | 4 ++-- src/basis/libraries.bse/dfo-1 | 4 ++-- src/basis/libraries.bse/dfo-1-autoaux | 4 ++-- src/basis/libraries.bse/dfo-1-bhs | 4 ++-- src/basis/libraries.bse/dfo-1-bhs-autoaux | 4 ++-- src/basis/libraries.bse/dfo-2 | 4 ++-- src/basis/libraries.bse/dfo-2-autoaux | 4 ++-- src/basis/libraries.bse/dfo-nrlmol | 4 ++-- src/basis/libraries.bse/dfo-nrlmol-autoaux | 4 ++-- src/basis/libraries.bse/dgauss-a1-dftjfit | 4 ++-- src/basis/libraries.bse/dgauss-a1-dftxfit | 4 ++-- src/basis/libraries.bse/dgauss-a2-dftjfit | 4 ++-- src/basis/libraries.bse/dgauss-a2-dftxfit | 4 ++-- src/basis/libraries.bse/dgauss-dzvp | 4 ++-- src/basis/libraries.bse/dgauss-dzvp-autoaux | 4 ++-- src/basis/libraries.bse/dgauss-dzvp2 | 4 ++-- src/basis/libraries.bse/dgauss-dzvp2-autoaux | 4 ++-- src/basis/libraries.bse/dgauss-tzvp | 4 ++-- src/basis/libraries.bse/dgauss-tzvp-autoaux | 4 ++-- src/basis/libraries.bse/dhf-ecp | 4 ++-- src/basis/libraries.bse/dhf-ecp-autoaux | 4 ++-- src/basis/libraries.bse/dhf-qzvp | 4 ++-- src/basis/libraries.bse/dhf-qzvp-autoaux | 4 ++-- src/basis/libraries.bse/dhf-qzvpp | 4 ++-- src/basis/libraries.bse/dhf-qzvpp-autoaux | 4 ++-- src/basis/libraries.bse/dhf-svp | 4 ++-- src/basis/libraries.bse/dhf-svp-autoaux | 4 ++-- src/basis/libraries.bse/dhf-tzvp | 4 ++-- src/basis/libraries.bse/dhf-tzvp-autoaux | 4 ++-- src/basis/libraries.bse/dhf-tzvpp | 4 ++-- src/basis/libraries.bse/dhf-tzvpp-autoaux | 4 ++-- .../libraries.bse/dz_+_double_rydberg_dunning-hay | 4 ++-- .../dz_+_double_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/dz_+_rydberg_dunning-hay | 4 ++-- .../libraries.bse/dz_+_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/dz_dunning-hay | 4 ++-- src/basis/libraries.bse/dz_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/dzp_+_diffuse_dunning-hay | 4 ++-- .../libraries.bse/dzp_+_diffuse_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/dzp_+_rydberg_dunning-hay | 4 ++-- .../libraries.bse/dzp_+_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/dzp_dunning-hay | 4 ++-- src/basis/libraries.bse/dzp_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/fano-5z | 4 ++-- src/basis/libraries.bse/fano-5z-autoaux | 4 ++-- src/basis/libraries.bse/fano-6z | 4 ++-- src/basis/libraries.bse/fano-6z-autoaux | 4 ++-- src/basis/libraries.bse/fano-dz | 4 ++-- src/basis/libraries.bse/fano-dz-autoaux | 4 ++-- src/basis/libraries.bse/fano-qz | 4 ++-- src/basis/libraries.bse/fano-qz-autoaux | 4 ++-- src/basis/libraries.bse/fano-tz | 4 ++-- src/basis/libraries.bse/fano-tz-autoaux | 4 ++-- src/basis/libraries.bse/hgbs-5 | 4 ++-- src/basis/libraries.bse/hgbs-5-autoaux | 4 ++-- src/basis/libraries.bse/hgbs-7 | 4 ++-- src/basis/libraries.bse/hgbs-7-autoaux | 4 ++-- src/basis/libraries.bse/hgbs-9 | 4 ++-- src/basis/libraries.bse/hgbs-9-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp1-5 | 4 ++-- src/basis/libraries.bse/hgbsp1-5-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp1-7 | 4 ++-- src/basis/libraries.bse/hgbsp1-7-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp1-9 | 4 ++-- src/basis/libraries.bse/hgbsp1-9-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp2-5 | 4 ++-- src/basis/libraries.bse/hgbsp2-5-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp2-7 | 4 ++-- src/basis/libraries.bse/hgbsp2-7-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp2-9 | 4 ++-- src/basis/libraries.bse/hgbsp2-9-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp3-5 | 4 ++-- src/basis/libraries.bse/hgbsp3-5-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp3-7 | 4 ++-- src/basis/libraries.bse/hgbsp3-7-autoaux | 4 ++-- src/basis/libraries.bse/hgbsp3-9 | 4 ++-- src/basis/libraries.bse/hgbsp3-9-autoaux | 4 ++-- src/basis/libraries.bse/iglo-ii | 4 ++-- src/basis/libraries.bse/iglo-ii-autoaux | 4 ++-- src/basis/libraries.bse/iglo-iii | 4 ++-- src/basis/libraries.bse/iglo-iii-autoaux | 4 ++-- src/basis/libraries.bse/jgauss-dzp | 6 +++--- src/basis/libraries.bse/jgauss-dzp-autoaux | 4 ++-- src/basis/libraries.bse/jgauss-qz2p | 6 +++--- src/basis/libraries.bse/jgauss-qz2p-autoaux | 4 ++-- src/basis/libraries.bse/jgauss-qzp | 6 +++--- src/basis/libraries.bse/jgauss-qzp-autoaux | 4 ++-- src/basis/libraries.bse/jgauss-tzp1 | 6 +++--- src/basis/libraries.bse/jgauss-tzp1-autoaux | 4 ++-- src/basis/libraries.bse/jgauss-tzp2 | 6 +++--- src/basis/libraries.bse/jgauss-tzp2-autoaux | 4 ++-- src/basis/libraries.bse/jorge-5zp | 4 ++-- src/basis/libraries.bse/jorge-5zp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-5zp-dkh | 4 ++-- src/basis/libraries.bse/jorge-5zp-dkh-autoaux | 4 ++-- src/basis/libraries.bse/jorge-6zp | 4 ++-- src/basis/libraries.bse/jorge-6zp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-6zp-dkh | 4 ++-- src/basis/libraries.bse/jorge-6zp-dkh-autoaux | 4 ++-- src/basis/libraries.bse/jorge-a5zp | 4 ++-- src/basis/libraries.bse/jorge-a5zp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-adzp | 4 ++-- src/basis/libraries.bse/jorge-adzp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-aqzp | 4 ++-- src/basis/libraries.bse/jorge-aqzp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-atzp | 4 ++-- src/basis/libraries.bse/jorge-atzp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-dzp | 4 ++-- src/basis/libraries.bse/jorge-dzp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-dzp-dkh | 4 ++-- src/basis/libraries.bse/jorge-dzp-dkh-autoaux | 4 ++-- src/basis/libraries.bse/jorge-qzp | 4 ++-- src/basis/libraries.bse/jorge-qzp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-qzp-dkh | 4 ++-- src/basis/libraries.bse/jorge-qzp-dkh-autoaux | 4 ++-- src/basis/libraries.bse/jorge-tzp | 4 ++-- src/basis/libraries.bse/jorge-tzp-autoaux | 4 ++-- src/basis/libraries.bse/jorge-tzp-dkh | 4 ++-- src/basis/libraries.bse/jorge-tzp-dkh-autoaux | 4 ++-- src/basis/libraries.bse/jul-cc-pvd+dz | 4 ++-- src/basis/libraries.bse/jul-cc-pvd+dz-autoaux | 4 ++-- src/basis/libraries.bse/jul-cc-pvq+dz | 4 ++-- src/basis/libraries.bse/jul-cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/jul-cc-pvt+dz | 4 ++-- src/basis/libraries.bse/jul-cc-pvt+dz-autoaux | 4 ++-- src/basis/libraries.bse/jun-cc-pvd+dz | 4 ++-- src/basis/libraries.bse/jun-cc-pvd+dz-autoaux | 4 ++-- src/basis/libraries.bse/jun-cc-pvq+dz | 4 ++-- src/basis/libraries.bse/jun-cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/jun-cc-pvt+dz | 4 ++-- src/basis/libraries.bse/jun-cc-pvt+dz-autoaux | 4 ++-- src/basis/libraries.bse/koga_unpolarized | 4 ++-- src/basis/libraries.bse/koga_unpolarized-autoaux | 4 ++-- src/basis/libraries.bse/lanl08 | 4 ++-- src/basis/libraries.bse/lanl08+ | 4 ++-- src/basis/libraries.bse/lanl08+-autoaux | 4 ++-- src/basis/libraries.bse/lanl08-autoaux | 4 ++-- src/basis/libraries.bse/lanl08d | 4 ++-- src/basis/libraries.bse/lanl08d-autoaux | 4 ++-- src/basis/libraries.bse/lanl08f | 4 ++-- src/basis/libraries.bse/lanl08f-autoaux | 4 ++-- src/basis/libraries.bse/lanl2dz | 4 ++-- src/basis/libraries.bse/lanl2dz-autoaux | 4 ++-- src/basis/libraries.bse/lanl2dz_ecp | 4 ++-- src/basis/libraries.bse/lanl2dz_ecp-autoaux | 4 ++-- src/basis/libraries.bse/lanl2dzdp | 4 ++-- src/basis/libraries.bse/lanl2dzdp-autoaux | 4 ++-- src/basis/libraries.bse/lanl2tz | 4 ++-- src/basis/libraries.bse/lanl2tz+ | 4 ++-- src/basis/libraries.bse/lanl2tz+-autoaux | 4 ++-- src/basis/libraries.bse/lanl2tz-autoaux | 4 ++-- src/basis/libraries.bse/lanl2tzf | 4 ++-- src/basis/libraries.bse/lanl2tzf-autoaux | 4 ++-- src/basis/libraries.bse/m6-31g | 4 ++-- src/basis/libraries.bse/m6-31g-autoaux | 4 ++-- src/basis/libraries.bse/m6-31gs | 4 ++-- src/basis/libraries.bse/m6-31gs-autoaux | 4 ++-- src/basis/libraries.bse/maug-cc-pvd+dz | 4 ++-- src/basis/libraries.bse/maug-cc-pvd+dz-autoaux | 4 ++-- src/basis/libraries.bse/maug-cc-pvq+dz | 4 ++-- src/basis/libraries.bse/maug-cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/maug-cc-pvt+dz | 4 ++-- src/basis/libraries.bse/maug-cc-pvt+dz-autoaux | 4 ++-- src/basis/libraries.bse/may-cc-pvq+dz | 4 ++-- src/basis/libraries.bse/may-cc-pvq+dz-autoaux | 4 ++-- src/basis/libraries.bse/may-cc-pvt+dz | 4 ++-- src/basis/libraries.bse/may-cc-pvt+dz-autoaux | 4 ++-- src/basis/libraries.bse/midi | 4 ++-- src/basis/libraries.bse/midi! | 4 ++-- src/basis/libraries.bse/midi!-autoaux | 4 ++-- src/basis/libraries.bse/midi-autoaux | 4 ++-- src/basis/libraries.bse/midix | 4 ++-- src/basis/libraries.bse/midix-autoaux | 4 ++-- src/basis/libraries.bse/mini | 4 ++-- src/basis/libraries.bse/mini-autoaux | 4 ++-- src/basis/libraries.bse/modified-lanl2dz | 4 ++-- src/basis/libraries.bse/modified-lanl2dz-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_ano | 4 ++-- src/basis/libraries.bse/nasa_ames_ano-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_ano2 | 4 ++-- src/basis/libraries.bse/nasa_ames_ano2-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pcv5z | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pcv5z-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pcvqz | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pcvqz-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pcvtz | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pcvtz-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pv5z | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pv5z-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pvqz | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pvqz-autoaux | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pvtz | 4 ++-- src/basis/libraries.bse/nasa_ames_cc-pvtz-autoaux | 4 ++-- src/basis/libraries.bse/nlo-v | 4 ++-- src/basis/libraries.bse/nlo-v-autoaux | 4 ++-- src/basis/libraries.bse/nmr-dkh_tz2p | 4 ++-- src/basis/libraries.bse/nmr-dkh_tz2p-autoaux | 4 ++-- src/basis/libraries.bse/orp | 4 ++-- src/basis/libraries.bse/orp-autoaux | 4 ++-- src/basis/libraries.bse/partridge_uncontracted_1 | 4 ++-- .../libraries.bse/partridge_uncontracted_1-autoaux | 4 ++-- src/basis/libraries.bse/partridge_uncontracted_2 | 4 ++-- .../libraries.bse/partridge_uncontracted_2-autoaux | 4 ++-- src/basis/libraries.bse/partridge_uncontracted_3 | 4 ++-- .../libraries.bse/partridge_uncontracted_3-autoaux | 4 ++-- src/basis/libraries.bse/partridge_uncontracted_4 | 4 ++-- .../libraries.bse/partridge_uncontracted_4-autoaux | 4 ++-- src/basis/libraries.bse/pc-0 | 4 ++-- src/basis/libraries.bse/pc-0-autoaux | 4 ++-- src/basis/libraries.bse/pc-1 | 4 ++-- src/basis/libraries.bse/pc-1-autoaux | 4 ++-- src/basis/libraries.bse/pc-2 | 4 ++-- src/basis/libraries.bse/pc-2-autoaux | 4 ++-- src/basis/libraries.bse/pc-3 | 4 ++-- src/basis/libraries.bse/pc-3-autoaux | 4 ++-- src/basis/libraries.bse/pc-4 | 4 ++-- src/basis/libraries.bse/pc-4-autoaux | 4 ++-- src/basis/libraries.bse/pcemd-2 | 4 ++-- src/basis/libraries.bse/pcemd-2-autoaux | 4 ++-- src/basis/libraries.bse/pcemd-3 | 4 ++-- src/basis/libraries.bse/pcemd-3-autoaux | 4 ++-- src/basis/libraries.bse/pcemd-4 | 4 ++-- src/basis/libraries.bse/pcemd-4-autoaux | 4 ++-- src/basis/libraries.bse/pch-1 | 4 ++-- src/basis/libraries.bse/pch-1-autoaux | 4 ++-- src/basis/libraries.bse/pch-2 | 4 ++-- src/basis/libraries.bse/pch-2-autoaux | 4 ++-- src/basis/libraries.bse/pch-3 | 4 ++-- src/basis/libraries.bse/pch-3-autoaux | 4 ++-- src/basis/libraries.bse/pch-4 | 4 ++-- src/basis/libraries.bse/pch-4-autoaux | 4 ++-- src/basis/libraries.bse/pcj-0 | 4 ++-- src/basis/libraries.bse/pcj-0-autoaux | 4 ++-- src/basis/libraries.bse/pcj-0_2006 | 4 ++-- src/basis/libraries.bse/pcj-0_2006-autoaux | 4 ++-- src/basis/libraries.bse/pcj-1 | 4 ++-- src/basis/libraries.bse/pcj-1-autoaux | 4 ++-- src/basis/libraries.bse/pcj-1_2006 | 4 ++-- src/basis/libraries.bse/pcj-1_2006-autoaux | 4 ++-- src/basis/libraries.bse/pcj-2 | 4 ++-- src/basis/libraries.bse/pcj-2-autoaux | 4 ++-- src/basis/libraries.bse/pcj-2_2006 | 4 ++-- src/basis/libraries.bse/pcj-2_2006-autoaux | 4 ++-- src/basis/libraries.bse/pcj-3 | 4 ++-- src/basis/libraries.bse/pcj-3-autoaux | 4 ++-- src/basis/libraries.bse/pcj-3_2006 | 4 ++-- src/basis/libraries.bse/pcj-3_2006-autoaux | 4 ++-- src/basis/libraries.bse/pcj-4 | 4 ++-- src/basis/libraries.bse/pcj-4-autoaux | 4 ++-- src/basis/libraries.bse/pcj-4_2006 | 4 ++-- src/basis/libraries.bse/pcj-4_2006-autoaux | 4 ++-- src/basis/libraries.bse/pcs-0 | 4 ++-- src/basis/libraries.bse/pcs-0-autoaux | 4 ++-- src/basis/libraries.bse/pcs-1 | 4 ++-- src/basis/libraries.bse/pcs-1-autoaux | 4 ++-- src/basis/libraries.bse/pcs-2 | 4 ++-- src/basis/libraries.bse/pcs-2-autoaux | 4 ++-- src/basis/libraries.bse/pcs-3 | 4 ++-- src/basis/libraries.bse/pcs-3-autoaux | 4 ++-- src/basis/libraries.bse/pcs-4 | 4 ++-- src/basis/libraries.bse/pcs-4-autoaux | 4 ++-- src/basis/libraries.bse/pcseg-0 | 4 ++-- src/basis/libraries.bse/pcseg-0-autoaux | 4 ++-- src/basis/libraries.bse/pcseg-1 | 4 ++-- src/basis/libraries.bse/pcseg-1-autoaux | 4 ++-- src/basis/libraries.bse/pcseg-2 | 4 ++-- src/basis/libraries.bse/pcseg-2-autoaux | 4 ++-- src/basis/libraries.bse/pcseg-3 | 4 ++-- src/basis/libraries.bse/pcseg-3-autoaux | 4 ++-- src/basis/libraries.bse/pcseg-4 | 4 ++-- src/basis/libraries.bse/pcseg-4-autoaux | 4 ++-- src/basis/libraries.bse/pcsseg-0 | 4 ++-- src/basis/libraries.bse/pcsseg-0-autoaux | 4 ++-- src/basis/libraries.bse/pcsseg-1 | 4 ++-- src/basis/libraries.bse/pcsseg-1-autoaux | 4 ++-- src/basis/libraries.bse/pcsseg-2 | 4 ++-- src/basis/libraries.bse/pcsseg-2-autoaux | 4 ++-- src/basis/libraries.bse/pcsseg-3 | 4 ++-- src/basis/libraries.bse/pcsseg-3-autoaux | 4 ++-- src/basis/libraries.bse/pcsseg-4 | 4 ++-- src/basis/libraries.bse/pcsseg-4-autoaux | 4 ++-- src/basis/libraries.bse/pcx-1 | 4 ++-- src/basis/libraries.bse/pcx-1-autoaux | 4 ++-- src/basis/libraries.bse/pcx-2 | 4 ++-- src/basis/libraries.bse/pcx-2-autoaux | 4 ++-- src/basis/libraries.bse/pcx-3 | 4 ++-- src/basis/libraries.bse/pcx-3-autoaux | 4 ++-- src/basis/libraries.bse/pcx-4 | 4 ++-- src/basis/libraries.bse/pcx-4-autoaux | 4 ++-- src/basis/libraries.bse/psbkjc | 4 ++-- src/basis/libraries.bse/psbkjc-autoaux | 4 ++-- src/basis/libraries.bse/pt_-_mdzp | 4 ++-- src/basis/libraries.bse/pt_-_mdzp-autoaux | 4 ++-- src/basis/libraries.bse/pv6z | 4 ++-- src/basis/libraries.bse/pv6z-autoaux | 4 ++-- src/basis/libraries.bse/pv7z | 4 ++-- src/basis/libraries.bse/pv7z-autoaux | 4 ++-- .../libraries.bse/roos_augmented_double_zeta_ano | 11 ++++++----- .../roos_augmented_double_zeta_ano-autoaux | 4 ++-- .../libraries.bse/roos_augmented_triple_zeta_ano | 11 ++++++----- .../roos_augmented_triple_zeta_ano-autoaux | 4 ++-- src/basis/libraries.bse/s3-21g | 4 ++-- src/basis/libraries.bse/s3-21g-autoaux | 4 ++-- src/basis/libraries.bse/s3-21gs | 4 ++-- src/basis/libraries.bse/s3-21gs-autoaux | 4 ++-- src/basis/libraries.bse/s6-31g | 4 ++-- src/basis/libraries.bse/s6-31g-autoaux | 4 ++-- src/basis/libraries.bse/s6-31gs | 4 ++-- src/basis/libraries.bse/s6-31gs-autoaux | 4 ++-- src/basis/libraries.bse/sadlej+ | 4 ++-- src/basis/libraries.bse/sadlej+-autoaux | 4 ++-- src/basis/libraries.bse/sadlej_pvtz | 4 ++-- src/basis/libraries.bse/sadlej_pvtz-autoaux | 4 ++-- src/basis/libraries.bse/sap_grasp_large | 4 ++-- src/basis/libraries.bse/sap_grasp_small | 4 ++-- src/basis/libraries.bse/sap_helfem_large | 4 ++-- src/basis/libraries.bse/sap_helfem_small | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-dzp | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-dzp-2012 | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-dzp-2012-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse | 4 ++-- .../sapporo-dkh3-dzp-2012-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-dzp-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse | 4 ++-- .../libraries.bse/sapporo-dkh3-dzp-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-qzp | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-qzp-2012 | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-qzp-2012-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse | 4 ++-- .../sapporo-dkh3-qzp-2012-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-qzp-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse | 4 ++-- .../libraries.bse/sapporo-dkh3-qzp-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-tzp | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-tzp-2012 | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-tzp-2012-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse | 4 ++-- .../sapporo-dkh3-tzp-2012-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-tzp-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse | 4 ++-- .../libraries.bse/sapporo-dkh3-tzp-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dzp | 4 ++-- src/basis/libraries.bse/sapporo-dzp-2012 | 4 ++-- src/basis/libraries.bse/sapporo-dzp-2012-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dzp-2012-diffuse | 4 ++-- .../libraries.bse/sapporo-dzp-2012-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dzp-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-dzp-diffuse | 4 ++-- src/basis/libraries.bse/sapporo-dzp-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-qzp | 4 ++-- src/basis/libraries.bse/sapporo-qzp-2012 | 4 ++-- src/basis/libraries.bse/sapporo-qzp-2012-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-qzp-2012-diffuse | 4 ++-- .../libraries.bse/sapporo-qzp-2012-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-qzp-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-qzp-diffuse | 4 ++-- src/basis/libraries.bse/sapporo-qzp-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-tzp | 4 ++-- src/basis/libraries.bse/sapporo-tzp-2012 | 4 ++-- src/basis/libraries.bse/sapporo-tzp-2012-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-tzp-2012-diffuse | 4 ++-- .../libraries.bse/sapporo-tzp-2012-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-tzp-autoaux | 4 ++-- src/basis/libraries.bse/sapporo-tzp-diffuse | 4 ++-- src/basis/libraries.bse/sapporo-tzp-diffuse-autoaux | 4 ++-- src/basis/libraries.bse/sarc-dkh2 | 4 ++-- src/basis/libraries.bse/sarc-dkh2-autoaux | 4 ++-- src/basis/libraries.bse/sarc-zora | 4 ++-- src/basis/libraries.bse/sarc-zora-autoaux | 4 ++-- src/basis/libraries.bse/sarc2-qzv-dkh2 | 4 ++-- src/basis/libraries.bse/sarc2-qzv-dkh2-autoaux | 4 ++-- src/basis/libraries.bse/sarc2-qzv-dkh2-jkfit | 4 ++-- src/basis/libraries.bse/sarc2-qzv-zora | 4 ++-- src/basis/libraries.bse/sarc2-qzv-zora-autoaux | 4 ++-- src/basis/libraries.bse/sarc2-qzv-zora-jkfit | 4 ++-- src/basis/libraries.bse/sarc2-qzvp-dkh2 | 4 ++-- src/basis/libraries.bse/sarc2-qzvp-dkh2-autoaux | 4 ++-- src/basis/libraries.bse/sarc2-qzvp-dkh2-jkfit | 4 ++-- src/basis/libraries.bse/sarc2-qzvp-zora | 4 ++-- src/basis/libraries.bse/sarc2-qzvp-zora-autoaux | 4 ++-- src/basis/libraries.bse/sarc2-qzvp-zora-jkfit | 4 ++-- src/basis/libraries.bse/sbkjc-ecp | 4 ++-- src/basis/libraries.bse/sbkjc-ecp-autoaux | 4 ++-- src/basis/libraries.bse/sbkjc-vdz | 4 ++-- src/basis/libraries.bse/sbkjc-vdz-autoaux | 4 ++-- src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk | 4 ++-- .../libraries.bse/sbkjc_polarized_p_2d_-_lfk-autoaux | 4 ++-- src/basis/libraries.bse/sbo4-dzd-3g | 4 ++-- src/basis/libraries.bse/sbo4-dzd-3g-autoaux | 4 ++-- src/basis/libraries.bse/sbo4-dzd_p-3g | 4 ++-- src/basis/libraries.bse/sbo4-dzd_p-3g-autoaux | 4 ++-- src/basis/libraries.bse/sbo4-sz-3g | 4 ++-- src/basis/libraries.bse/sbo4-sz-3g-autoaux | 4 ++-- src/basis/libraries.bse/scaled_mini | 4 ++-- src/basis/libraries.bse/scaled_mini-autoaux | 4 ++-- src/basis/libraries.bse/sto-2g | 4 ++-- src/basis/libraries.bse/sto-2g-autoaux | 4 ++-- src/basis/libraries.bse/sto-3g | 4 ++-- src/basis/libraries.bse/sto-3g-autoaux | 4 ++-- src/basis/libraries.bse/sto-3gs | 4 ++-- src/basis/libraries.bse/sto-3gs-autoaux | 4 ++-- src/basis/libraries.bse/sto-4g | 4 ++-- src/basis/libraries.bse/sto-4g-autoaux | 4 ++-- src/basis/libraries.bse/sto-5g | 4 ++-- src/basis/libraries.bse/sto-5g-autoaux | 4 ++-- src/basis/libraries.bse/sto-6g | 4 ++-- src/basis/libraries.bse/sto-6g-autoaux | 4 ++-- src/basis/libraries.bse/stuttgart_rlc | 4 ++-- src/basis/libraries.bse/stuttgart_rlc-autoaux | 4 ++-- src/basis/libraries.bse/stuttgart_rlc_ecp | 4 ++-- src/basis/libraries.bse/stuttgart_rlc_ecp-autoaux | 4 ++-- src/basis/libraries.bse/stuttgart_rsc_1997 | 4 ++-- src/basis/libraries.bse/stuttgart_rsc_1997-autoaux | 4 ++-- src/basis/libraries.bse/stuttgart_rsc_1997_ecp | 4 ++-- .../libraries.bse/stuttgart_rsc_1997_ecp-autoaux | 4 ++-- src/basis/libraries.bse/stuttgart_rsc_ano | 4 ++-- src/basis/libraries.bse/stuttgart_rsc_ano-autoaux | 4 ++-- src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp | 4 ++-- .../stuttgart_rsc_segmented_+_ecp-autoaux | 4 ++-- .../libraries.bse/sv_+_double_rydberg_dunning-hay | 4 ++-- .../sv_+_double_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/sv_+_rydberg_dunning-hay | 4 ++-- .../libraries.bse/sv_+_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/sv_dunning-hay | 4 ++-- src/basis/libraries.bse/sv_dunning-hay-autoaux | 4 ++-- .../libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay | 4 ++-- .../svp_+_diffuse_+_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/svp_+_diffuse_dunning-hay | 4 ++-- .../libraries.bse/svp_+_diffuse_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/svp_+_rydberg_dunning-hay | 4 ++-- .../libraries.bse/svp_+_rydberg_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/svp_dunning-hay | 4 ++-- src/basis/libraries.bse/svp_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/tz_dunning-hay | 4 ++-- src/basis/libraries.bse/tz_dunning-hay-autoaux | 4 ++-- src/basis/libraries.bse/tzp-zora | 4 ++-- src/basis/libraries.bse/tzp-zora-autoaux | 4 ++-- src/basis/libraries.bse/ugbs | 4 ++-- src/basis/libraries.bse/ugbs-autoaux | 4 ++-- src/basis/libraries.bse/un-ccemd-ref | 4 ++-- src/basis/libraries.bse/un-ccemd-ref-autoaux | 4 ++-- src/basis/libraries.bse/un-pcemd-ref | 4 ++-- src/basis/libraries.bse/un-pcemd-ref-autoaux | 4 ++-- src/basis/libraries.bse/wachters+f | 4 ++-- src/basis/libraries.bse/wachters+f-autoaux | 4 ++-- src/basis/libraries.bse/wtbs | 4 ++-- src/basis/libraries.bse/wtbs-autoaux | 4 ++-- src/basis/libraries.bse/x2c-jfit | 4 ++-- src/basis/libraries.bse/x2c-jfit-universal | 4 ++-- src/basis/libraries.bse/x2c-qzvpall | 6 +++--- src/basis/libraries.bse/x2c-qzvpall-2c | 6 +++--- src/basis/libraries.bse/x2c-qzvpall-2c-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvpall-2c-s | 6 +++--- src/basis/libraries.bse/x2c-qzvpall-2c-s-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvpall-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvpall-s | 6 +++--- src/basis/libraries.bse/x2c-qzvpall-s-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvppall | 6 +++--- src/basis/libraries.bse/x2c-qzvppall-2c | 6 +++--- src/basis/libraries.bse/x2c-qzvppall-2c-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvppall-2c-s | 6 +++--- src/basis/libraries.bse/x2c-qzvppall-2c-s-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvppall-autoaux | 4 ++-- src/basis/libraries.bse/x2c-qzvppall-s | 6 +++--- src/basis/libraries.bse/x2c-qzvppall-s-autoaux | 4 ++-- src/basis/libraries.bse/x2c-svpall | 4 ++-- src/basis/libraries.bse/x2c-svpall-2c | 4 ++-- src/basis/libraries.bse/x2c-svpall-2c-autoaux | 4 ++-- src/basis/libraries.bse/x2c-svpall-autoaux | 4 ++-- src/basis/libraries.bse/x2c-svpall-s | 4 ++-- src/basis/libraries.bse/x2c-svpall-s-autoaux | 4 ++-- src/basis/libraries.bse/x2c-tzvpall | 4 ++-- src/basis/libraries.bse/x2c-tzvpall-2c | 4 ++-- src/basis/libraries.bse/x2c-tzvpall-2c-autoaux | 4 ++-- src/basis/libraries.bse/x2c-tzvpall-autoaux | 4 ++-- src/basis/libraries.bse/x2c-tzvpall-s | 4 ++-- src/basis/libraries.bse/x2c-tzvpall-s-autoaux | 4 ++-- src/basis/libraries.bse/x2c-tzvppall | 4 ++-- src/basis/libraries.bse/x2c-tzvppall-2c | 4 ++-- src/basis/libraries.bse/x2c-tzvppall-2c-autoaux | 4 ++-- src/basis/libraries.bse/x2c-tzvppall-autoaux | 4 ++-- src/basis/libraries.bse/x2c-tzvppall-s | 4 ++-- src/basis/libraries.bse/x2c-tzvppall-s-autoaux | 4 ++-- 1200 files changed, 2431 insertions(+), 2429 deletions(-) diff --git a/src/basis/libraries.bse/2zapa-nr b/src/basis/libraries.bse/2zapa-nr index 6ce1abff48..9a57862a91 100644 --- a/src/basis/libraries.bse/2zapa-nr +++ b/src/basis/libraries.bse/2zapa-nr @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 2ZaPa-NR version number 1 # Description: Double Zeta augmented + polarization (nonrelativistic) # Role: orbital diff --git a/src/basis/libraries.bse/2zapa-nr-autoaux b/src/basis/libraries.bse/2zapa-nr-autoaux index 5597774275..95627e32b3 100644 --- a/src/basis/libraries.bse/2zapa-nr-autoaux +++ b/src/basis/libraries.bse/2zapa-nr-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 2ZaPa-NR version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/2zapa-nr-cv b/src/basis/libraries.bse/2zapa-nr-cv index 79d39b352f..cd7b539f26 100644 --- a/src/basis/libraries.bse/2zapa-nr-cv +++ b/src/basis/libraries.bse/2zapa-nr-cv @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 2ZaPa-NR-CV version number 1 # Description: Double zeta augmented +polarization (nonrelativistic + core-valence) # Role: orbital diff --git a/src/basis/libraries.bse/2zapa-nr-cv-autoaux b/src/basis/libraries.bse/2zapa-nr-cv-autoaux index c89ed4de6e..24a24450db 100644 --- a/src/basis/libraries.bse/2zapa-nr-cv-autoaux +++ b/src/basis/libraries.bse/2zapa-nr-cv-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 2ZaPa-NR-CV version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/3-21g b/src/basis/libraries.bse/3-21g index 80411b697b..49c11f6ac6 100644 --- a/src/basis/libraries.bse/3-21g +++ b/src/basis/libraries.bse/3-21g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 3-21G version number 1 # Description: 3-21G Split-valence basis set # Role: orbital diff --git a/src/basis/libraries.bse/3-21g-autoaux b/src/basis/libraries.bse/3-21g-autoaux index ec3d4ad5fc..2737b17345 100644 --- a/src/basis/libraries.bse/3-21g-autoaux +++ b/src/basis/libraries.bse/3-21g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 3-21G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/3zapa-nr b/src/basis/libraries.bse/3zapa-nr index 04931a8c92..9cffa14623 100644 --- a/src/basis/libraries.bse/3zapa-nr +++ b/src/basis/libraries.bse/3zapa-nr @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 3ZaPa-NR version number 1 # Description: Triple Zeta augmented + polarization (nonrelativistic) # Role: orbital diff --git a/src/basis/libraries.bse/3zapa-nr-autoaux b/src/basis/libraries.bse/3zapa-nr-autoaux index 9a6037a31b..8fd8225a49 100644 --- a/src/basis/libraries.bse/3zapa-nr-autoaux +++ b/src/basis/libraries.bse/3zapa-nr-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 3ZaPa-NR version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/3zapa-nr-cv b/src/basis/libraries.bse/3zapa-nr-cv index 4543b82e21..c1d66051e9 100644 --- a/src/basis/libraries.bse/3zapa-nr-cv +++ b/src/basis/libraries.bse/3zapa-nr-cv @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 3ZaPa-NR-CV version number 1 # Description: Triple zeta augmented + polarization (nonrelativistic + core-valence) # Role: orbital diff --git a/src/basis/libraries.bse/3zapa-nr-cv-autoaux b/src/basis/libraries.bse/3zapa-nr-cv-autoaux index 366c920dc0..87837294b3 100644 --- a/src/basis/libraries.bse/3zapa-nr-cv-autoaux +++ b/src/basis/libraries.bse/3zapa-nr-cv-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 3ZaPa-NR-CV version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/4-31g b/src/basis/libraries.bse/4-31g index 5cac7b5b0f..e3ff065feb 100644 --- a/src/basis/libraries.bse/4-31g +++ b/src/basis/libraries.bse/4-31g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 4-31G version number 1 # Description: 4-31G valence double-zeta basis set # Role: orbital diff --git a/src/basis/libraries.bse/4-31g-autoaux b/src/basis/libraries.bse/4-31g-autoaux index 8b4a7a11f2..a849a9c8d6 100644 --- a/src/basis/libraries.bse/4-31g-autoaux +++ b/src/basis/libraries.bse/4-31g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 4-31G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/4zapa-nr b/src/basis/libraries.bse/4zapa-nr index 38abb76ee7..de5f3f01a8 100644 --- a/src/basis/libraries.bse/4zapa-nr +++ b/src/basis/libraries.bse/4zapa-nr @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 4ZaPa-NR version number 1 # Description: Quadruple Zeta augmented + polarization (nonrelativistic) # Role: orbital diff --git a/src/basis/libraries.bse/4zapa-nr-autoaux b/src/basis/libraries.bse/4zapa-nr-autoaux index 04437c6bf7..f02d0a5bbd 100644 --- a/src/basis/libraries.bse/4zapa-nr-autoaux +++ b/src/basis/libraries.bse/4zapa-nr-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 4ZaPa-NR version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/4zapa-nr-cv b/src/basis/libraries.bse/4zapa-nr-cv index dc38fe9834..cb29623526 100644 --- a/src/basis/libraries.bse/4zapa-nr-cv +++ b/src/basis/libraries.bse/4zapa-nr-cv @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 4ZaPa-NR-CV version number 1 # Description: Quadruple zeta augmented + polarization (nonrelativistic + core-valence) # Role: orbital diff --git a/src/basis/libraries.bse/4zapa-nr-cv-autoaux b/src/basis/libraries.bse/4zapa-nr-cv-autoaux index 0875311961..e8371dd58a 100644 --- a/src/basis/libraries.bse/4zapa-nr-cv-autoaux +++ b/src/basis/libraries.bse/4zapa-nr-cv-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 4ZaPa-NR-CV version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/5-21g b/src/basis/libraries.bse/5-21g index ac24e9f1cd..11b61d94d6 100644 --- a/src/basis/libraries.bse/5-21g +++ b/src/basis/libraries.bse/5-21g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 5-21G version number 1 # Description: 5-21G Split-valence basis set # Role: orbital diff --git a/src/basis/libraries.bse/5-21g-autoaux b/src/basis/libraries.bse/5-21g-autoaux index 1a60259971..15bcede4e4 100644 --- a/src/basis/libraries.bse/5-21g-autoaux +++ b/src/basis/libraries.bse/5-21g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 5-21G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/5zapa-nr b/src/basis/libraries.bse/5zapa-nr index a6b7c7ef5f..193f64fc8d 100644 --- a/src/basis/libraries.bse/5zapa-nr +++ b/src/basis/libraries.bse/5zapa-nr @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 5ZaPa-NR version number 1 # Description: Quintuple Zeta augmented + polarization (nonrelativistic) # Role: orbital diff --git a/src/basis/libraries.bse/5zapa-nr-autoaux b/src/basis/libraries.bse/5zapa-nr-autoaux index 9a25a81bdb..c154572756 100644 --- a/src/basis/libraries.bse/5zapa-nr-autoaux +++ b/src/basis/libraries.bse/5zapa-nr-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 5ZaPa-NR version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/5zapa-nr-cv b/src/basis/libraries.bse/5zapa-nr-cv index ece4c2b3a8..ea62286856 100644 --- a/src/basis/libraries.bse/5zapa-nr-cv +++ b/src/basis/libraries.bse/5zapa-nr-cv @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 5ZaPa-NR-CV version number 1 # Description: Quintuple zeta augmented + polarization (nonrelativistic + core-valence) # Role: orbital diff --git a/src/basis/libraries.bse/5zapa-nr-cv-autoaux b/src/basis/libraries.bse/5zapa-nr-cv-autoaux index 3312381607..ef304ded54 100644 --- a/src/basis/libraries.bse/5zapa-nr-cv-autoaux +++ b/src/basis/libraries.bse/5zapa-nr-cv-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 5ZaPa-NR-CV version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-21g b/src/basis/libraries.bse/6-21g index 0bbe42bb08..35ffdf3fb3 100644 --- a/src/basis/libraries.bse/6-21g +++ b/src/basis/libraries.bse/6-21g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-21G version number 1 # Description: 6-21G Split-valence basis set # Role: orbital diff --git a/src/basis/libraries.bse/6-21g-autoaux b/src/basis/libraries.bse/6-21g-autoaux index 5c819e3b7a..1f34b2c91e 100644 --- a/src/basis/libraries.bse/6-21g-autoaux +++ b/src/basis/libraries.bse/6-21g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-21G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31++g b/src/basis/libraries.bse/6-31++g index 8bb6116254..182c2f3746 100644 --- a/src/basis/libraries.bse/6-31++g +++ b/src/basis/libraries.bse/6-31++g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G version number 1 # Description: 6-31G + diffuse on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31++g-autoaux b/src/basis/libraries.bse/6-31++g-autoaux index 9749d2c937..c12fd87c00 100644 --- a/src/basis/libraries.bse/6-31++g-autoaux +++ b/src/basis/libraries.bse/6-31++g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31++gs b/src/basis/libraries.bse/6-31++gs index d5dcbf69ff..65ba9c9f04 100644 --- a/src/basis/libraries.bse/6-31++gs +++ b/src/basis/libraries.bse/6-31++gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G* version number 1 # Description: 6-31G + diffuse functions on all atoms, polarization on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31++gs-autoaux b/src/basis/libraries.bse/6-31++gs-autoaux index 28af611457..3492fef385 100644 --- a/src/basis/libraries.bse/6-31++gs-autoaux +++ b/src/basis/libraries.bse/6-31++gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G* version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31++gss b/src/basis/libraries.bse/6-31++gss index a7faa39b36..9bf5e9b999 100644 --- a/src/basis/libraries.bse/6-31++gss +++ b/src/basis/libraries.bse/6-31++gss @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G** version number 1 # Description: 6-31G + diffuse and polarization functions on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31++gss-autoaux b/src/basis/libraries.bse/6-31++gss-autoaux index 19ed676f9f..dc906d1b74 100644 --- a/src/basis/libraries.bse/6-31++gss-autoaux +++ b/src/basis/libraries.bse/6-31++gss-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G** version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31++gss-j b/src/basis/libraries.bse/6-31++gss-j index 6c5cce66ed..b41925da67 100644 --- a/src/basis/libraries.bse/6-31++gss-j +++ b/src/basis/libraries.bse/6-31++gss-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G**-J version number 0 # Description: 6-31++G**-J # Role: orbital diff --git a/src/basis/libraries.bse/6-31++gss-j-autoaux b/src/basis/libraries.bse/6-31++gss-j-autoaux index 294ccebf4b..09b4ccf810 100644 --- a/src/basis/libraries.bse/6-31++gss-j-autoaux +++ b/src/basis/libraries.bse/6-31++gss-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31++G**-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31+g b/src/basis/libraries.bse/6-31+g index 1a90ee32dc..5a02235a74 100644 --- a/src/basis/libraries.bse/6-31+g +++ b/src/basis/libraries.bse/6-31+g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G version number 1 # Description: 6-31G + diffuse on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31+g-autoaux b/src/basis/libraries.bse/6-31+g-autoaux index fbd471298d..181ff48062 100644 --- a/src/basis/libraries.bse/6-31+g-autoaux +++ b/src/basis/libraries.bse/6-31+g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31+gs b/src/basis/libraries.bse/6-31+gs index 2a3bb0a8ce..8cba4d9150 100644 --- a/src/basis/libraries.bse/6-31+gs +++ b/src/basis/libraries.bse/6-31+gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G* version number 1 # Description: 6-31G + diffuse and polarization functions on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31+gs-autoaux b/src/basis/libraries.bse/6-31+gs-autoaux index 1ee8cc504e..40087576c4 100644 --- a/src/basis/libraries.bse/6-31+gs-autoaux +++ b/src/basis/libraries.bse/6-31+gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G* version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31+gs-j b/src/basis/libraries.bse/6-31+gs-j index 439e44f289..71b82cc58c 100644 --- a/src/basis/libraries.bse/6-31+gs-j +++ b/src/basis/libraries.bse/6-31+gs-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G*-J version number 0 # Description: 6-31+G*-J # Role: orbital diff --git a/src/basis/libraries.bse/6-31+gs-j-autoaux b/src/basis/libraries.bse/6-31+gs-j-autoaux index 3f249cb791..5ad6b362bd 100644 --- a/src/basis/libraries.bse/6-31+gs-j-autoaux +++ b/src/basis/libraries.bse/6-31+gs-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G*-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31+gss b/src/basis/libraries.bse/6-31+gss index cd89983f86..4c3458dc4a 100644 --- a/src/basis/libraries.bse/6-31+gss +++ b/src/basis/libraries.bse/6-31+gss @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G** version number 1 # Description: 6-31G + diffuse functions on heavy atoms, polarization on all # Role: orbital diff --git a/src/basis/libraries.bse/6-31+gss-autoaux b/src/basis/libraries.bse/6-31+gss-autoaux index b11982c523..e8c5af704c 100644 --- a/src/basis/libraries.bse/6-31+gss-autoaux +++ b/src/basis/libraries.bse/6-31+gss-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31+G** version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311++g b/src/basis/libraries.bse/6-311++g index f9e46902d5..4ce2d50ea9 100644 --- a/src/basis/libraries.bse/6-311++g +++ b/src/basis/libraries.bse/6-311++g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with diffuse on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-311++g-autoaux b/src/basis/libraries.bse/6-311++g-autoaux index 7b27d51106..04a0cfa4ae 100644 --- a/src/basis/libraries.bse/6-311++g-autoaux +++ b/src/basis/libraries.bse/6-311++g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311++g2d_2p b/src/basis/libraries.bse/6-311++g2d_2p index 1a876194b8..d6bbf36cd4 100644 --- a/src/basis/libraries.bse/6-311++g2d_2p +++ b/src/basis/libraries.bse/6-311++g2d_2p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G(2d,2p) version number 0 # Description: 6-311++G(2d,2p) # Role: orbital diff --git a/src/basis/libraries.bse/6-311++g2d_2p-autoaux b/src/basis/libraries.bse/6-311++g2d_2p-autoaux index 9a34937989..46a4063bbf 100644 --- a/src/basis/libraries.bse/6-311++g2d_2p-autoaux +++ b/src/basis/libraries.bse/6-311++g2d_2p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G(2d,2p) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311++g3df_3pd b/src/basis/libraries.bse/6-311++g3df_3pd index 16aec37d08..4c38d73af4 100644 --- a/src/basis/libraries.bse/6-311++g3df_3pd +++ b/src/basis/libraries.bse/6-311++g3df_3pd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G(3df,3pd) version number 0 # Description: 6-311++G(3df,3pd) # Role: orbital diff --git a/src/basis/libraries.bse/6-311++g3df_3pd-autoaux b/src/basis/libraries.bse/6-311++g3df_3pd-autoaux index d8eec2a00b..36a67da7f0 100644 --- a/src/basis/libraries.bse/6-311++g3df_3pd-autoaux +++ b/src/basis/libraries.bse/6-311++g3df_3pd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G(3df,3pd) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311++gs b/src/basis/libraries.bse/6-311++gs index 0cee06dce3..5f4a3dcd44 100644 --- a/src/basis/libraries.bse/6-311++gs +++ b/src/basis/libraries.bse/6-311++gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G* version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with diffuse on all atoms, polarization on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-311++gs-autoaux b/src/basis/libraries.bse/6-311++gs-autoaux index f90b21e048..b55b73edae 100644 --- a/src/basis/libraries.bse/6-311++gs-autoaux +++ b/src/basis/libraries.bse/6-311++gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G* version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311++gss b/src/basis/libraries.bse/6-311++gss index 7689dbf55a..d971a617af 100644 --- a/src/basis/libraries.bse/6-311++gss +++ b/src/basis/libraries.bse/6-311++gss @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G** version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with diffuse+polarization on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-311++gss-autoaux b/src/basis/libraries.bse/6-311++gss-autoaux index eed699a1d6..a76a41c0e5 100644 --- a/src/basis/libraries.bse/6-311++gss-autoaux +++ b/src/basis/libraries.bse/6-311++gss-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G** version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311++gss-j b/src/basis/libraries.bse/6-311++gss-j index 4d71a54431..c379e6674a 100644 --- a/src/basis/libraries.bse/6-311++gss-j +++ b/src/basis/libraries.bse/6-311++gss-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G**-J version number 0 # Description: 6-311++G**-J # Role: orbital diff --git a/src/basis/libraries.bse/6-311++gss-j-autoaux b/src/basis/libraries.bse/6-311++gss-j-autoaux index d6b9739e07..285772d472 100644 --- a/src/basis/libraries.bse/6-311++gss-j-autoaux +++ b/src/basis/libraries.bse/6-311++gss-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311++G**-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311+g b/src/basis/libraries.bse/6-311+g index 33c78565a8..ad41bfb583 100644 --- a/src/basis/libraries.bse/6-311+g +++ b/src/basis/libraries.bse/6-311+g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with diffuse on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-311+g-autoaux b/src/basis/libraries.bse/6-311+g-autoaux index c5d63c9079..39ab215f25 100644 --- a/src/basis/libraries.bse/6-311+g-autoaux +++ b/src/basis/libraries.bse/6-311+g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311+g2d_p b/src/basis/libraries.bse/6-311+g2d_p index 4190002b6d..1c463a6f3b 100644 --- a/src/basis/libraries.bse/6-311+g2d_p +++ b/src/basis/libraries.bse/6-311+g2d_p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G(2d,p) version number 0 # Description: 6-311+G(2d,p) # Role: orbital diff --git a/src/basis/libraries.bse/6-311+g2d_p-autoaux b/src/basis/libraries.bse/6-311+g2d_p-autoaux index 22f57b736d..981be6bb5b 100644 --- a/src/basis/libraries.bse/6-311+g2d_p-autoaux +++ b/src/basis/libraries.bse/6-311+g2d_p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G(2d,p) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311+gs b/src/basis/libraries.bse/6-311+gs index 1b6d213686..c0c2ff5a1c 100644 --- a/src/basis/libraries.bse/6-311+gs +++ b/src/basis/libraries.bse/6-311+gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G* version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with diffuse+polarization on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-311+gs-autoaux b/src/basis/libraries.bse/6-311+gs-autoaux index e81630354d..26574a0428 100644 --- a/src/basis/libraries.bse/6-311+gs-autoaux +++ b/src/basis/libraries.bse/6-311+gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G* version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311+gs-j b/src/basis/libraries.bse/6-311+gs-j index f5c6a5c589..de90dade5d 100644 --- a/src/basis/libraries.bse/6-311+gs-j +++ b/src/basis/libraries.bse/6-311+gs-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G*-J version number 0 # Description: 6-311+G*-J # Role: orbital diff --git a/src/basis/libraries.bse/6-311+gs-j-autoaux b/src/basis/libraries.bse/6-311+gs-j-autoaux index fc8861bdd5..59ed2d4b5e 100644 --- a/src/basis/libraries.bse/6-311+gs-j-autoaux +++ b/src/basis/libraries.bse/6-311+gs-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G*-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311+gss b/src/basis/libraries.bse/6-311+gss index 0a4c33f57b..da952c3c2f 100644 --- a/src/basis/libraries.bse/6-311+gss +++ b/src/basis/libraries.bse/6-311+gss @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G** version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO with diffuse on heavy atoms, polarization on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-311+gss-autoaux b/src/basis/libraries.bse/6-311+gss-autoaux index 8345997769..afd2d6fc1e 100644 --- a/src/basis/libraries.bse/6-311+gss-autoaux +++ b/src/basis/libraries.bse/6-311+gss-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311+G** version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311g b/src/basis/libraries.bse/6-311g index 44c018bb44..2195fdb650 100644 --- a/src/basis/libraries.bse/6-311g +++ b/src/basis/libraries.bse/6-311g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/6-311g-autoaux b/src/basis/libraries.bse/6-311g-autoaux index 25106ceb27..741a8eee9c 100644 --- a/src/basis/libraries.bse/6-311g-autoaux +++ b/src/basis/libraries.bse/6-311g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311g-j b/src/basis/libraries.bse/6-311g-j index 932c4d4a54..4e00a3a6e4 100644 --- a/src/basis/libraries.bse/6-311g-j +++ b/src/basis/libraries.bse/6-311g-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G-J version number 0 # Description: 6-311G-J # Role: orbital diff --git a/src/basis/libraries.bse/6-311g-j-autoaux b/src/basis/libraries.bse/6-311g-j-autoaux index d9a534c429..b207205a68 100644 --- a/src/basis/libraries.bse/6-311g-j-autoaux +++ b/src/basis/libraries.bse/6-311g-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311g2df_2pd b/src/basis/libraries.bse/6-311g2df_2pd index 9e90af8c30..812919f2dc 100644 --- a/src/basis/libraries.bse/6-311g2df_2pd +++ b/src/basis/libraries.bse/6-311g2df_2pd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G(2df,2pd) version number 0 # Description: 6-311G(2df,2pd) # Role: orbital diff --git a/src/basis/libraries.bse/6-311g2df_2pd-autoaux b/src/basis/libraries.bse/6-311g2df_2pd-autoaux index 4c32789741..dcc4ea0ea6 100644 --- a/src/basis/libraries.bse/6-311g2df_2pd-autoaux +++ b/src/basis/libraries.bse/6-311g2df_2pd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G(2df,2pd) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311gd_p b/src/basis/libraries.bse/6-311gd_p index a9b678cf2b..68c4f62158 100644 --- a/src/basis/libraries.bse/6-311gd_p +++ b/src/basis/libraries.bse/6-311gd_p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G(d,p) version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/6-311gd_p-autoaux b/src/basis/libraries.bse/6-311gd_p-autoaux index 45a7d27fd7..ce8574a0de 100644 --- a/src/basis/libraries.bse/6-311gd_p-autoaux +++ b/src/basis/libraries.bse/6-311gd_p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G(d,p) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311gs b/src/basis/libraries.bse/6-311gs index 1080c3034b..e6b633298c 100644 --- a/src/basis/libraries.bse/6-311gs +++ b/src/basis/libraries.bse/6-311gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G* version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/6-311gs-autoaux b/src/basis/libraries.bse/6-311gs-autoaux index 8f9aac0aed..6f03c3780b 100644 --- a/src/basis/libraries.bse/6-311gs-autoaux +++ b/src/basis/libraries.bse/6-311gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G* version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311gss b/src/basis/libraries.bse/6-311gss index f25d889868..d78d2df5df 100644 --- a/src/basis/libraries.bse/6-311gss +++ b/src/basis/libraries.bse/6-311gss @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G** version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/6-311gss-autoaux b/src/basis/libraries.bse/6-311gss-autoaux index 2387704cee..780ab54057 100644 --- a/src/basis/libraries.bse/6-311gss-autoaux +++ b/src/basis/libraries.bse/6-311gss-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G** version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-311gss-rifit b/src/basis/libraries.bse/6-311gss-rifit index 2b9efef87b..e20d1f92bc 100644 --- a/src/basis/libraries.bse/6-311gss-rifit +++ b/src/basis/libraries.bse/6-311gss-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311G**-RIFIT version number 1 # Description: RI-MP2 auxiliary basis for 6-311G** basis # Role: rifit diff --git a/src/basis/libraries.bse/6-311xxgd_p b/src/basis/libraries.bse/6-311xxgd_p index 1f19d243b8..cb46fcfd7b 100644 --- a/src/basis/libraries.bse/6-311xxgd_p +++ b/src/basis/libraries.bse/6-311xxgd_p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311xxG(d,p) version number 1 # Description: 6-311xxG(d,p) basis set # Role: orbital diff --git a/src/basis/libraries.bse/6-311xxgd_p-autoaux b/src/basis/libraries.bse/6-311xxgd_p-autoaux index f7ea7de85a..530fc64953 100644 --- a/src/basis/libraries.bse/6-311xxgd_p-autoaux +++ b/src/basis/libraries.bse/6-311xxgd_p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-311xxG(d,p) version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31g b/src/basis/libraries.bse/6-31g index dfff279042..955dd1307b 100644 --- a/src/basis/libraries.bse/6-31g +++ b/src/basis/libraries.bse/6-31g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G version number 1 # Description: 6-31G valence double-zeta # Role: orbital diff --git a/src/basis/libraries.bse/6-31g-autoaux b/src/basis/libraries.bse/6-31g-autoaux index e62e74102b..0f2279aad1 100644 --- a/src/basis/libraries.bse/6-31g-autoaux +++ b/src/basis/libraries.bse/6-31g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31g-blaudeau b/src/basis/libraries.bse/6-31g-blaudeau index 97bd9b6f77..78d8e014f6 100644 --- a/src/basis/libraries.bse/6-31g-blaudeau +++ b/src/basis/libraries.bse/6-31g-blaudeau @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G-Blaudeau version number 0 # Description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/6-31g-blaudeau-autoaux b/src/basis/libraries.bse/6-31g-blaudeau-autoaux index 40389c5d85..af5017ad19 100644 --- a/src/basis/libraries.bse/6-31g-blaudeau-autoaux +++ b/src/basis/libraries.bse/6-31g-blaudeau-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G-Blaudeau version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31g-j b/src/basis/libraries.bse/6-31g-j index 7e331bbe02..6be07d3238 100644 --- a/src/basis/libraries.bse/6-31g-j +++ b/src/basis/libraries.bse/6-31g-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G-J version number 0 # Description: 6-31G-J # Role: orbital diff --git a/src/basis/libraries.bse/6-31g-j-autoaux b/src/basis/libraries.bse/6-31g-j-autoaux index d0ad664c4f..108a655d4b 100644 --- a/src/basis/libraries.bse/6-31g-j-autoaux +++ b/src/basis/libraries.bse/6-31g-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31g2df_p b/src/basis/libraries.bse/6-31g2df_p index 11dd7ee8d5..68b8c8d14e 100644 --- a/src/basis/libraries.bse/6-31g2df_p +++ b/src/basis/libraries.bse/6-31g2df_p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G(2df,p) version number 0 # Description: 6-31G(2df,p) # Role: orbital diff --git a/src/basis/libraries.bse/6-31g2df_p-autoaux b/src/basis/libraries.bse/6-31g2df_p-autoaux index adbac28822..03b0c8f622 100644 --- a/src/basis/libraries.bse/6-31g2df_p-autoaux +++ b/src/basis/libraries.bse/6-31g2df_p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G(2df,p) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31g3df_3pd b/src/basis/libraries.bse/6-31g3df_3pd index e9fb67abdd..91cdf40692 100644 --- a/src/basis/libraries.bse/6-31g3df_3pd +++ b/src/basis/libraries.bse/6-31g3df_3pd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G(3df,3pd) version number 0 # Description: 6-31G(3df,3pd) # Role: orbital diff --git a/src/basis/libraries.bse/6-31g3df_3pd-autoaux b/src/basis/libraries.bse/6-31g3df_3pd-autoaux index d21f2c94dc..8747414aec 100644 --- a/src/basis/libraries.bse/6-31g3df_3pd-autoaux +++ b/src/basis/libraries.bse/6-31g3df_3pd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G(3df,3pd) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31gd_p b/src/basis/libraries.bse/6-31gd_p index f1e1b0aefd..b561086569 100644 --- a/src/basis/libraries.bse/6-31gd_p +++ b/src/basis/libraries.bse/6-31gd_p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G(d,p) version number 1 # Description: 6-31G + polarization on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31gd_p-autoaux b/src/basis/libraries.bse/6-31gd_p-autoaux index fc06b18e4d..b13f9af08f 100644 --- a/src/basis/libraries.bse/6-31gd_p-autoaux +++ b/src/basis/libraries.bse/6-31gd_p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G(d,p) version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31gs b/src/basis/libraries.bse/6-31gs index 526117dea6..9729880e1e 100644 --- a/src/basis/libraries.bse/6-31gs +++ b/src/basis/libraries.bse/6-31gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G* version number 1 # Description: 6-31G + polarization on heavy atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31gs-autoaux b/src/basis/libraries.bse/6-31gs-autoaux index 454ee06c45..b51390f3c9 100644 --- a/src/basis/libraries.bse/6-31gs-autoaux +++ b/src/basis/libraries.bse/6-31gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G* version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31gs-blaudeau b/src/basis/libraries.bse/6-31gs-blaudeau index 2fdb78e83c..65b7aa7770 100644 --- a/src/basis/libraries.bse/6-31gs-blaudeau +++ b/src/basis/libraries.bse/6-31gs-blaudeau @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G*-Blaudeau version number 0 # Description: VDZP Valence Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31gs-blaudeau-autoaux b/src/basis/libraries.bse/6-31gs-blaudeau-autoaux index 9bec96d957..ac024b9b11 100644 --- a/src/basis/libraries.bse/6-31gs-blaudeau-autoaux +++ b/src/basis/libraries.bse/6-31gs-blaudeau-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G*-Blaudeau version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31gss b/src/basis/libraries.bse/6-31gss index 32ad73364e..76837eced5 100644 --- a/src/basis/libraries.bse/6-31gss +++ b/src/basis/libraries.bse/6-31gss @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G** version number 1 # Description: 6-31G + polarization on all atoms # Role: orbital diff --git a/src/basis/libraries.bse/6-31gss-autoaux b/src/basis/libraries.bse/6-31gss-autoaux index ea02241538..81d46b824f 100644 --- a/src/basis/libraries.bse/6-31gss-autoaux +++ b/src/basis/libraries.bse/6-31gss-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G** version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/6-31gss-rifit b/src/basis/libraries.bse/6-31gss-rifit index 857c4af521..46dc0142fa 100644 --- a/src/basis/libraries.bse/6-31gss-rifit +++ b/src/basis/libraries.bse/6-31gss-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6-31G**-RIFIT version number 1 # Description: RI-MP2 auxiliary basis for 6-31G** basis # Role: rifit diff --git a/src/basis/libraries.bse/6zapa-nr b/src/basis/libraries.bse/6zapa-nr index 2cfad336e1..9eb02094c2 100644 --- a/src/basis/libraries.bse/6zapa-nr +++ b/src/basis/libraries.bse/6zapa-nr @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6ZaPa-NR version number 1 # Description: Sextuple Zeta augmented + polarization (nonrelativistic) # Role: orbital diff --git a/src/basis/libraries.bse/6zapa-nr-autoaux b/src/basis/libraries.bse/6zapa-nr-autoaux index 24176ed614..f5efcb86d7 100644 --- a/src/basis/libraries.bse/6zapa-nr-autoaux +++ b/src/basis/libraries.bse/6zapa-nr-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 6ZaPa-NR version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/7zapa-nr b/src/basis/libraries.bse/7zapa-nr index d5a9fcab0d..ff9af95399 100644 --- a/src/basis/libraries.bse/7zapa-nr +++ b/src/basis/libraries.bse/7zapa-nr @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 7ZaPa-NR version number 1 # Description: 7Zeta augmented + polarization (nonrelativistic) # Role: orbital diff --git a/src/basis/libraries.bse/7zapa-nr-autoaux b/src/basis/libraries.bse/7zapa-nr-autoaux index be8da9ec50..967572ec96 100644 --- a/src/basis/libraries.bse/7zapa-nr-autoaux +++ b/src/basis/libraries.bse/7zapa-nr-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # 7ZaPa-NR version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/acv2z-j b/src/basis/libraries.bse/acv2z-j index 7a3eb9c630..b440ccb6a7 100644 --- a/src/basis/libraries.bse/acv2z-j +++ b/src/basis/libraries.bse/acv2z-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # acv2z-J version number 1 # Description: acv2z-J basis for indirect nuclear spin-spin coupling # Role: orbital diff --git a/src/basis/libraries.bse/acv2z-j-autoaux b/src/basis/libraries.bse/acv2z-j-autoaux index 152970af08..52400a1c24 100644 --- a/src/basis/libraries.bse/acv2z-j-autoaux +++ b/src/basis/libraries.bse/acv2z-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # acv2z-J version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/acv3z-j b/src/basis/libraries.bse/acv3z-j index d4c4bdb96c..418ac36f71 100644 --- a/src/basis/libraries.bse/acv3z-j +++ b/src/basis/libraries.bse/acv3z-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # acv3z-J version number 1 # Description: acv3z-J basis for indirect nuclear spin-spin coupling # Role: orbital diff --git a/src/basis/libraries.bse/acv3z-j-autoaux b/src/basis/libraries.bse/acv3z-j-autoaux index 77d7229f76..e05e376a8e 100644 --- a/src/basis/libraries.bse/acv3z-j-autoaux +++ b/src/basis/libraries.bse/acv3z-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # acv3z-J version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/acv4z-j b/src/basis/libraries.bse/acv4z-j index d5bf20912a..ed80f33a75 100644 --- a/src/basis/libraries.bse/acv4z-j +++ b/src/basis/libraries.bse/acv4z-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # acv4z-J version number 1 # Description: acv4z-J basis for indirect nuclear spin-spin coupling # Role: orbital diff --git a/src/basis/libraries.bse/acv4z-j-autoaux b/src/basis/libraries.bse/acv4z-j-autoaux index 0461b20eca..87860cfd5a 100644 --- a/src/basis/libraries.bse/acv4z-j-autoaux +++ b/src/basis/libraries.bse/acv4z-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # acv4z-J version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/admm-1 b/src/basis/libraries.bse/admm-1 index 2276aee9db..535243ae0b 100644 --- a/src/basis/libraries.bse/admm-1 +++ b/src/basis/libraries.bse/admm-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # admm-1 version number 1 # Description: Auxiliary basis with diffuse functions for use with pcseg-1 and the Auxiliary-Density Matrix Method (ADMM) # Role: admmfit diff --git a/src/basis/libraries.bse/admm-2 b/src/basis/libraries.bse/admm-2 index 011b20d80c..b5d8745248 100644 --- a/src/basis/libraries.bse/admm-2 +++ b/src/basis/libraries.bse/admm-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # admm-2 version number 1 # Description: Auxiliary basis with diffuse functions for use with pcseg-2 and the Auxiliary-Density Matrix Method (ADMM) # Role: admmfit diff --git a/src/basis/libraries.bse/admm-3 b/src/basis/libraries.bse/admm-3 index d321ac18a1..191ed8e23d 100644 --- a/src/basis/libraries.bse/admm-3 +++ b/src/basis/libraries.bse/admm-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # admm-3 version number 1 # Description: Auxiliary basis with diffuse functions for use with pcseg-3 and the Auxiliary-Density Matrix Method (ADMM) # Role: admmfit diff --git a/src/basis/libraries.bse/ahgbs-5 b/src/basis/libraries.bse/ahgbs-5 index ad77fedacf..770b416184 100644 --- a/src/basis/libraries.bse/ahgbs-5 +++ b/src/basis/libraries.bse/ahgbs-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBS-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} without polarization, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbs-5-autoaux b/src/basis/libraries.bse/ahgbs-5-autoaux index 7dd0587cf8..a6dbc8aeaf 100644 --- a/src/basis/libraries.bse/ahgbs-5-autoaux +++ b/src/basis/libraries.bse/ahgbs-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBS-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbs-7 b/src/basis/libraries.bse/ahgbs-7 index 13315ee735..ee1ab17434 100644 --- a/src/basis/libraries.bse/ahgbs-7 +++ b/src/basis/libraries.bse/ahgbs-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBS-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} without polarization, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbs-7-autoaux b/src/basis/libraries.bse/ahgbs-7-autoaux index 2801107551..f2db410984 100644 --- a/src/basis/libraries.bse/ahgbs-7-autoaux +++ b/src/basis/libraries.bse/ahgbs-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBS-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbs-9 b/src/basis/libraries.bse/ahgbs-9 index 73fa8385ff..c48c631e92 100644 --- a/src/basis/libraries.bse/ahgbs-9 +++ b/src/basis/libraries.bse/ahgbs-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBS-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} without polarization, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbs-9-autoaux b/src/basis/libraries.bse/ahgbs-9-autoaux index 8809e34d99..56e4042163 100644 --- a/src/basis/libraries.bse/ahgbs-9-autoaux +++ b/src/basis/libraries.bse/ahgbs-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBS-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp1-5 b/src/basis/libraries.bse/ahgbsp1-5 index 2c278c371b..bba125ff8e 100644 --- a/src/basis/libraries.bse/ahgbsp1-5 +++ b/src/basis/libraries.bse/ahgbsp1-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP1-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} with 1 polarization shell, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp1-5-autoaux b/src/basis/libraries.bse/ahgbsp1-5-autoaux index 9a03aa021e..a04f42a61b 100644 --- a/src/basis/libraries.bse/ahgbsp1-5-autoaux +++ b/src/basis/libraries.bse/ahgbsp1-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP1-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp1-7 b/src/basis/libraries.bse/ahgbsp1-7 index abd96eab0a..54007f8237 100644 --- a/src/basis/libraries.bse/ahgbsp1-7 +++ b/src/basis/libraries.bse/ahgbsp1-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP1-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} with 1 polarization shell, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp1-7-autoaux b/src/basis/libraries.bse/ahgbsp1-7-autoaux index 3614cc204b..84f2b52b34 100644 --- a/src/basis/libraries.bse/ahgbsp1-7-autoaux +++ b/src/basis/libraries.bse/ahgbsp1-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP1-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp1-9 b/src/basis/libraries.bse/ahgbsp1-9 index 6c3534caed..83f59bf867 100644 --- a/src/basis/libraries.bse/ahgbsp1-9 +++ b/src/basis/libraries.bse/ahgbsp1-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP1-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} with 1 polarization shell, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp1-9-autoaux b/src/basis/libraries.bse/ahgbsp1-9-autoaux index 948c71905c..9b4295ee9b 100644 --- a/src/basis/libraries.bse/ahgbsp1-9-autoaux +++ b/src/basis/libraries.bse/ahgbsp1-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP1-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp2-5 b/src/basis/libraries.bse/ahgbsp2-5 index 94127935e8..918c262711 100644 --- a/src/basis/libraries.bse/ahgbsp2-5 +++ b/src/basis/libraries.bse/ahgbsp2-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP2-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} with 2 polarization shells, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp2-5-autoaux b/src/basis/libraries.bse/ahgbsp2-5-autoaux index c3fc1ed779..54af9c6878 100644 --- a/src/basis/libraries.bse/ahgbsp2-5-autoaux +++ b/src/basis/libraries.bse/ahgbsp2-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP2-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp2-7 b/src/basis/libraries.bse/ahgbsp2-7 index 4fcf288b2e..dab01618b5 100644 --- a/src/basis/libraries.bse/ahgbsp2-7 +++ b/src/basis/libraries.bse/ahgbsp2-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP2-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} with 2 polarization shells, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp2-7-autoaux b/src/basis/libraries.bse/ahgbsp2-7-autoaux index 4e4112bb2d..764b671d32 100644 --- a/src/basis/libraries.bse/ahgbsp2-7-autoaux +++ b/src/basis/libraries.bse/ahgbsp2-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP2-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp2-9 b/src/basis/libraries.bse/ahgbsp2-9 index fbf091541f..b1f312338f 100644 --- a/src/basis/libraries.bse/ahgbsp2-9 +++ b/src/basis/libraries.bse/ahgbsp2-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP2-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} with 2 polarization shells, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp2-9-autoaux b/src/basis/libraries.bse/ahgbsp2-9-autoaux index b0a0afb4a4..0028fdb302 100644 --- a/src/basis/libraries.bse/ahgbsp2-9-autoaux +++ b/src/basis/libraries.bse/ahgbsp2-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP2-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp3-5 b/src/basis/libraries.bse/ahgbsp3-5 index 2ca5110b74..345ef3a76d 100644 --- a/src/basis/libraries.bse/ahgbsp3-5 +++ b/src/basis/libraries.bse/ahgbsp3-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP3-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} with 3 polarization shells, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp3-5-autoaux b/src/basis/libraries.bse/ahgbsp3-5-autoaux index fd4db949cb..4c3df13ae9 100644 --- a/src/basis/libraries.bse/ahgbsp3-5-autoaux +++ b/src/basis/libraries.bse/ahgbsp3-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP3-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp3-7 b/src/basis/libraries.bse/ahgbsp3-7 index b779a5dbc5..142f8991b6 100644 --- a/src/basis/libraries.bse/ahgbsp3-7 +++ b/src/basis/libraries.bse/ahgbsp3-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP3-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} with 3 polarization shells, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp3-7-autoaux b/src/basis/libraries.bse/ahgbsp3-7-autoaux index f79a3ae765..d588e8b030 100644 --- a/src/basis/libraries.bse/ahgbsp3-7-autoaux +++ b/src/basis/libraries.bse/ahgbsp3-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP3-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahgbsp3-9 b/src/basis/libraries.bse/ahgbsp3-9 index 20177c310b..76a0fc4c22 100644 --- a/src/basis/libraries.bse/ahgbsp3-9 +++ b/src/basis/libraries.bse/ahgbsp3-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP3-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} with 3 polarization shells, with more diffuse functions # Role: orbital diff --git a/src/basis/libraries.bse/ahgbsp3-9-autoaux b/src/basis/libraries.bse/ahgbsp3-9-autoaux index ffa7bc176d..73c017db96 100644 --- a/src/basis/libraries.bse/ahgbsp3-9-autoaux +++ b/src/basis/libraries.bse/ahgbsp3-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # AHGBSP3-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahlrichs_pvdz b/src/basis/libraries.bse/ahlrichs_pvdz index 8389162d5d..356e9b68a7 100644 --- a/src/basis/libraries.bse/ahlrichs_pvdz +++ b/src/basis/libraries.bse/ahlrichs_pvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs pVDZ version number 0 # Description: VDZP Valence Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/ahlrichs_pvdz-autoaux b/src/basis/libraries.bse/ahlrichs_pvdz-autoaux index 49a39154d3..d543be8830 100644 --- a/src/basis/libraries.bse/ahlrichs_pvdz-autoaux +++ b/src/basis/libraries.bse/ahlrichs_pvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs pVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahlrichs_tzv b/src/basis/libraries.bse/ahlrichs_tzv index 7b9942f212..81eb885825 100644 --- a/src/basis/libraries.bse/ahlrichs_tzv +++ b/src/basis/libraries.bse/ahlrichs_tzv @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs TZV version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/ahlrichs_tzv-autoaux b/src/basis/libraries.bse/ahlrichs_tzv-autoaux index f56afaec9c..9f263654b1 100644 --- a/src/basis/libraries.bse/ahlrichs_tzv-autoaux +++ b/src/basis/libraries.bse/ahlrichs_tzv-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs TZV version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahlrichs_vdz b/src/basis/libraries.bse/ahlrichs_vdz index a3e84072a2..fe0475e1a8 100644 --- a/src/basis/libraries.bse/ahlrichs_vdz +++ b/src/basis/libraries.bse/ahlrichs_vdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs VDZ version number 0 # Description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/ahlrichs_vdz-autoaux b/src/basis/libraries.bse/ahlrichs_vdz-autoaux index ab9f6437e8..14383c8a51 100644 --- a/src/basis/libraries.bse/ahlrichs_vdz-autoaux +++ b/src/basis/libraries.bse/ahlrichs_vdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs VDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ahlrichs_vtz b/src/basis/libraries.bse/ahlrichs_vtz index d01592624c..ca7ad29482 100644 --- a/src/basis/libraries.bse/ahlrichs_vtz +++ b/src/basis/libraries.bse/ahlrichs_vtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs VTZ version number 0 # Description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/ahlrichs_vtz-autoaux b/src/basis/libraries.bse/ahlrichs_vtz-autoaux index e074a46cf7..983543d71a 100644 --- a/src/basis/libraries.bse/ahlrichs_vtz-autoaux +++ b/src/basis/libraries.bse/ahlrichs_vtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Ahlrichs VTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-dk3 b/src/basis/libraries.bse/ano-dk3 index 7ad84bbac9..71c499db70 100644 --- a/src/basis/libraries.bse/ano-dk3 +++ b/src/basis/libraries.bse/ano-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-DK3 version number 1 # Description: ANO-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/ano-dk3-autoaux b/src/basis/libraries.bse/ano-dk3-autoaux index 17d22c4492..c061f012e6 100644 --- a/src/basis/libraries.bse/ano-dk3-autoaux +++ b/src/basis/libraries.bse/ano-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-r b/src/basis/libraries.bse/ano-r index 10a09891c4..2a8d0b1482 100644 --- a/src/basis/libraries.bse/ano-r +++ b/src/basis/libraries.bse/ano-r @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R version number 2 # Description: ANO-R # Role: orbital diff --git a/src/basis/libraries.bse/ano-r-autoaux b/src/basis/libraries.bse/ano-r-autoaux index 60af3e5117..c2eeea732a 100644 --- a/src/basis/libraries.bse/ano-r-autoaux +++ b/src/basis/libraries.bse/ano-r-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-r0 b/src/basis/libraries.bse/ano-r0 index 5f6ba36221..ead00c2591 100644 --- a/src/basis/libraries.bse/ano-r0 +++ b/src/basis/libraries.bse/ano-r0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R0 version number 2 # Description: ANO-R0 # Role: orbital diff --git a/src/basis/libraries.bse/ano-r0-autoaux b/src/basis/libraries.bse/ano-r0-autoaux index 54e832abdf..3c68069e99 100644 --- a/src/basis/libraries.bse/ano-r0-autoaux +++ b/src/basis/libraries.bse/ano-r0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R0 version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-r1 b/src/basis/libraries.bse/ano-r1 index 8e65a3603e..91ab322224 100644 --- a/src/basis/libraries.bse/ano-r1 +++ b/src/basis/libraries.bse/ano-r1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R1 version number 2 # Description: ANO-R1 # Role: orbital diff --git a/src/basis/libraries.bse/ano-r1-autoaux b/src/basis/libraries.bse/ano-r1-autoaux index 51b56f980a..e648174674 100644 --- a/src/basis/libraries.bse/ano-r1-autoaux +++ b/src/basis/libraries.bse/ano-r1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R1 version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-r2 b/src/basis/libraries.bse/ano-r2 index 5d8d367458..c0d4687ea5 100644 --- a/src/basis/libraries.bse/ano-r2 +++ b/src/basis/libraries.bse/ano-r2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R2 version number 2 # Description: ANO-R2 # Role: orbital diff --git a/src/basis/libraries.bse/ano-r2-autoaux b/src/basis/libraries.bse/ano-r2-autoaux index ca51b7e538..55dca72379 100644 --- a/src/basis/libraries.bse/ano-r2-autoaux +++ b/src/basis/libraries.bse/ano-r2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R2 version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-r3 b/src/basis/libraries.bse/ano-r3 index b520200b3d..6e4155a3d8 100644 --- a/src/basis/libraries.bse/ano-r3 +++ b/src/basis/libraries.bse/ano-r3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R3 version number 2 # Description: ANO-R3 # Role: orbital diff --git a/src/basis/libraries.bse/ano-r3-autoaux b/src/basis/libraries.bse/ano-r3-autoaux index 58c04c13c4..d09cb7fd09 100644 --- a/src/basis/libraries.bse/ano-r3-autoaux +++ b/src/basis/libraries.bse/ano-r3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-R3 version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc b/src/basis/libraries.bse/ano-rcc index 37cdff8d89..62c985f5b0 100644 --- a/src/basis/libraries.bse/ano-rcc +++ b/src/basis/libraries.bse/ano-rcc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC version number 1 # Description: Full ANO-RCC basis # Role: orbital @@ -99,7 +99,7 @@ # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # diff --git a/src/basis/libraries.bse/ano-rcc-autoaux b/src/basis/libraries.bse/ano-rcc-autoaux index ec51a25eca..2fd224e68c 100644 --- a/src/basis/libraries.bse/ano-rcc-autoaux +++ b/src/basis/libraries.bse/ano-rcc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc-mb b/src/basis/libraries.bse/ano-rcc-mb index 0af640cb2d..0d6d9becfb 100644 --- a/src/basis/libraries.bse/ano-rcc-mb +++ b/src/basis/libraries.bse/ano-rcc-mb @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-MB version number 1 # Description: ANO-RCC-MB # Role: orbital @@ -99,7 +99,7 @@ # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # diff --git a/src/basis/libraries.bse/ano-rcc-mb-autoaux b/src/basis/libraries.bse/ano-rcc-mb-autoaux index a9468a6d9b..b72e36fe1a 100644 --- a/src/basis/libraries.bse/ano-rcc-mb-autoaux +++ b/src/basis/libraries.bse/ano-rcc-mb-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-MB version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc-vdz b/src/basis/libraries.bse/ano-rcc-vdz index ad84972139..d16714ac8f 100644 --- a/src/basis/libraries.bse/ano-rcc-vdz +++ b/src/basis/libraries.bse/ano-rcc-vdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VDZ version number 1 # Description: ANO-RCC-VDZ # Role: orbital @@ -99,7 +99,7 @@ # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # diff --git a/src/basis/libraries.bse/ano-rcc-vdz-autoaux b/src/basis/libraries.bse/ano-rcc-vdz-autoaux index 9da3b0e5fb..eee99e6556 100644 --- a/src/basis/libraries.bse/ano-rcc-vdz-autoaux +++ b/src/basis/libraries.bse/ano-rcc-vdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VDZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc-vdzp b/src/basis/libraries.bse/ano-rcc-vdzp index 5e8c901e8b..ae26fd5f06 100644 --- a/src/basis/libraries.bse/ano-rcc-vdzp +++ b/src/basis/libraries.bse/ano-rcc-vdzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VDZP version number 1 # Description: ANO-RCC-VDZP # Role: orbital @@ -99,7 +99,7 @@ # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # diff --git a/src/basis/libraries.bse/ano-rcc-vdzp-autoaux b/src/basis/libraries.bse/ano-rcc-vdzp-autoaux index ebf6c74b6d..4055c22785 100644 --- a/src/basis/libraries.bse/ano-rcc-vdzp-autoaux +++ b/src/basis/libraries.bse/ano-rcc-vdzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VDZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc-vqzp b/src/basis/libraries.bse/ano-rcc-vqzp index e308d64aca..245609967b 100644 --- a/src/basis/libraries.bse/ano-rcc-vqzp +++ b/src/basis/libraries.bse/ano-rcc-vqzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VQZP version number 1 # Description: ANO-RCC-VQZP # Role: orbital @@ -99,7 +99,7 @@ # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # diff --git a/src/basis/libraries.bse/ano-rcc-vqzp-autoaux b/src/basis/libraries.bse/ano-rcc-vqzp-autoaux index 182eb5d8e2..2eb4bee32a 100644 --- a/src/basis/libraries.bse/ano-rcc-vqzp-autoaux +++ b/src/basis/libraries.bse/ano-rcc-vqzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VQZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc-vtz b/src/basis/libraries.bse/ano-rcc-vtz index 972f69c330..c6967315fa 100644 --- a/src/basis/libraries.bse/ano-rcc-vtz +++ b/src/basis/libraries.bse/ano-rcc-vtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VTZ version number 1 # Description: ANO-RCC-VTZ # Role: orbital diff --git a/src/basis/libraries.bse/ano-rcc-vtz-autoaux b/src/basis/libraries.bse/ano-rcc-vtz-autoaux index 34c5ee647c..ed70743b46 100644 --- a/src/basis/libraries.bse/ano-rcc-vtz-autoaux +++ b/src/basis/libraries.bse/ano-rcc-vtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VTZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-rcc-vtzp b/src/basis/libraries.bse/ano-rcc-vtzp index 36c46679c5..75d900b54c 100644 --- a/src/basis/libraries.bse/ano-rcc-vtzp +++ b/src/basis/libraries.bse/ano-rcc-vtzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VTZP version number 1 # Description: ANO-RCC-VTZP # Role: orbital @@ -99,7 +99,7 @@ # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # diff --git a/src/basis/libraries.bse/ano-rcc-vtzp-autoaux b/src/basis/libraries.bse/ano-rcc-vtzp-autoaux index 86962afcb4..42ae9b07c3 100644 --- a/src/basis/libraries.bse/ano-rcc-vtzp-autoaux +++ b/src/basis/libraries.bse/ano-rcc-vtzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-RCC-VTZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-vt-dz b/src/basis/libraries.bse/ano-vt-dz index 9ca78ab2a6..72dcf9b33c 100644 --- a/src/basis/libraries.bse/ano-vt-dz +++ b/src/basis/libraries.bse/ano-vt-dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-VT-DZ version number 1 # Description: ANO-VT-DZ (Atomic Natural Orbital - Virial Theorem - Double Zeta) # Role: orbital diff --git a/src/basis/libraries.bse/ano-vt-dz-autoaux b/src/basis/libraries.bse/ano-vt-dz-autoaux index 004c8a6fe4..4d365d6e45 100644 --- a/src/basis/libraries.bse/ano-vt-dz-autoaux +++ b/src/basis/libraries.bse/ano-vt-dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-VT-DZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-vt-qz b/src/basis/libraries.bse/ano-vt-qz index bafcfa5a96..4e1f96dca7 100644 --- a/src/basis/libraries.bse/ano-vt-qz +++ b/src/basis/libraries.bse/ano-vt-qz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-VT-QZ version number 2 # Description: ANO-VT-QZ (Atomic Natural Orbital - Virial Theorem - Quadruple Zeta) # Role: orbital diff --git a/src/basis/libraries.bse/ano-vt-qz-autoaux b/src/basis/libraries.bse/ano-vt-qz-autoaux index b065f7c5ed..34f867fe6a 100644 --- a/src/basis/libraries.bse/ano-vt-qz-autoaux +++ b/src/basis/libraries.bse/ano-vt-qz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-VT-QZ version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ano-vt-tz b/src/basis/libraries.bse/ano-vt-tz index 2d8fabcf26..cfa5235786 100644 --- a/src/basis/libraries.bse/ano-vt-tz +++ b/src/basis/libraries.bse/ano-vt-tz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-VT-TZ version number 1 # Description: ANO-VT-TZ (Atomic Natural Orbital - Virial Theorem - Triple Zeta) # Role: orbital diff --git a/src/basis/libraries.bse/ano-vt-tz-autoaux b/src/basis/libraries.bse/ano-vt-tz-autoaux index 8c01096ec8..dfbbc7dfbf 100644 --- a/src/basis/libraries.bse/ano-vt-tz-autoaux +++ b/src/basis/libraries.bse/ano-vt-tz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ANO-VT-TZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/apr-cc-pvq+dz b/src/basis/libraries.bse/apr-cc-pvq+dz index 03fed2ac01..bccf5f1b0d 100644 --- a/src/basis/libraries.bse/apr-cc-pvq+dz +++ b/src/basis/libraries.bse/apr-cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # apr-cc-pV(Q+d)Z version number 0 # Description: apr-cc-pV(Q+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/apr-cc-pvq+dz-autoaux b/src/basis/libraries.bse/apr-cc-pvq+dz-autoaux index dc52e7e961..0eb79dea43 100644 --- a/src/basis/libraries.bse/apr-cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/apr-cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # apr-cc-pV(Q+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/atzp-zora b/src/basis/libraries.bse/atzp-zora index f190661cdd..af61b29e7e 100644 --- a/src/basis/libraries.bse/atzp-zora +++ b/src/basis/libraries.bse/atzp-zora @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ATZP-ZORA version number 1 # Description: ATZP-ZORA, augmented all-electron triple-zeta basis for calculations with the ZORA approach # Role: orbital diff --git a/src/basis/libraries.bse/atzp-zora-autoaux b/src/basis/libraries.bse/atzp-zora-autoaux index 1a5a71d794..4860250f9d 100644 --- a/src/basis/libraries.bse/atzp-zora-autoaux +++ b/src/basis/libraries.bse/atzp-zora-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ATZP-ZORA version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-admm-1 b/src/basis/libraries.bse/aug-admm-1 index 27eecba718..2918076839 100644 --- a/src/basis/libraries.bse/aug-admm-1 +++ b/src/basis/libraries.bse/aug-admm-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-admm-1 version number 1 # Description: Auxiliary basis with diffuse functions for use with aug-pcseg-1 and the Auxiliary-Density Matrix Method (ADMM) # Role: admmfit diff --git a/src/basis/libraries.bse/aug-admm-2 b/src/basis/libraries.bse/aug-admm-2 index 0cfc7fec7d..4cd4422422 100644 --- a/src/basis/libraries.bse/aug-admm-2 +++ b/src/basis/libraries.bse/aug-admm-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-admm-2 version number 1 # Description: Auxiliary basis with diffuse functions for use with aug-pcseg-2 and the Auxiliary-Density Matrix Method (ADMM) # Role: admmfit diff --git a/src/basis/libraries.bse/aug-admm-3 b/src/basis/libraries.bse/aug-admm-3 index 7fb576877f..bb11adac58 100644 --- a/src/basis/libraries.bse/aug-admm-3 +++ b/src/basis/libraries.bse/aug-admm-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-admm-3 version number 1 # Description: Auxiliary basis with diffuse functions for use with aug-pcseg-3 and the Auxiliary-Density Matrix Method (ADMM) # Role: admmfit diff --git a/src/basis/libraries.bse/aug-cc-pcv5z b/src/basis/libraries.bse/aug-cc-pcv5z index b21259cf13..7c3d8ce790 100644 --- a/src/basis/libraries.bse/aug-cc-pcv5z +++ b/src/basis/libraries.bse/aug-cc-pcv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCV5Z version number 0 # Description: 5ZP Quintuple Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcv5z-autoaux b/src/basis/libraries.bse/aug-cc-pcv5z-autoaux index e0dbddff8e..0c83bd1acc 100644 --- a/src/basis/libraries.bse/aug-cc-pcv5z-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pcvdz b/src/basis/libraries.bse/aug-cc-pcvdz index 49ae1b1cfc..26bf7abeee 100644 --- a/src/basis/libraries.bse/aug-cc-pcvdz +++ b/src/basis/libraries.bse/aug-cc-pcvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVDZ version number 0 # Description: DZP Double Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcvdz-autoaux b/src/basis/libraries.bse/aug-cc-pcvdz-autoaux index c1f1225e76..bd75711505 100644 --- a/src/basis/libraries.bse/aug-cc-pcvdz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pcvdz-dk b/src/basis/libraries.bse/aug-cc-pcvdz-dk index 2da7e0322e..1ace251470 100644 --- a/src/basis/libraries.bse/aug-cc-pcvdz-dk +++ b/src/basis/libraries.bse/aug-cc-pcvdz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVDZ-DK version number 0 # Description: VDZP Douglas-Kroll Valence Double Zeta + Polarization + Tight core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcvdz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pcvdz-dk-autoaux index 8657cbc2bf..cbf856dfb8 100644 --- a/src/basis/libraries.bse/aug-cc-pcvdz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcvdz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVDZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pcvqz b/src/basis/libraries.bse/aug-cc-pcvqz index 7a44d21d63..f3f1d1cbe6 100644 --- a/src/basis/libraries.bse/aug-cc-pcvqz +++ b/src/basis/libraries.bse/aug-cc-pcvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVQZ version number 0 # Description: QZP Quadruple Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcvqz-autoaux b/src/basis/libraries.bse/aug-cc-pcvqz-autoaux index 54c637e4c1..bd587f6d18 100644 --- a/src/basis/libraries.bse/aug-cc-pcvqz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pcvqz-dk b/src/basis/libraries.bse/aug-cc-pcvqz-dk index f654e087ba..63cc83c3c7 100644 --- a/src/basis/libraries.bse/aug-cc-pcvqz-dk +++ b/src/basis/libraries.bse/aug-cc-pcvqz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVQZ-DK version number 0 # Description: QZ3PD Douglas-Kroll Valence Double Zeta + Polarization + Tight core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcvqz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pcvqz-dk-autoaux index 07037343d0..edcdc1bc35 100644 --- a/src/basis/libraries.bse/aug-cc-pcvqz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcvqz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVQZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pcvtz b/src/basis/libraries.bse/aug-cc-pcvtz index 212555a593..41e008f7f3 100644 --- a/src/basis/libraries.bse/aug-cc-pcvtz +++ b/src/basis/libraries.bse/aug-cc-pcvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVTZ version number 0 # Description: TZP Triple Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcvtz-autoaux b/src/basis/libraries.bse/aug-cc-pcvtz-autoaux index 43ffe460d3..00adafd56d 100644 --- a/src/basis/libraries.bse/aug-cc-pcvtz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pcvtz-dk b/src/basis/libraries.bse/aug-cc-pcvtz-dk index 84e0d6d5f3..a338fd5fdd 100644 --- a/src/basis/libraries.bse/aug-cc-pcvtz-dk +++ b/src/basis/libraries.bse/aug-cc-pcvtz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVTZ-DK version number 0 # Description: Triple-Zeta Douglas-Kroll Valence Double Zeta + Polarization + Tight core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pcvtz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pcvtz-dk-autoaux index 50bd394399..efdc4a044f 100644 --- a/src/basis/libraries.bse/aug-cc-pcvtz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pcvtz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pCVTZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pv5+dz b/src/basis/libraries.bse/aug-cc-pv5+dz index 426fd99eda..b357969f60 100644 --- a/src/basis/libraries.bse/aug-cc-pv5+dz +++ b/src/basis/libraries.bse/aug-cc-pv5+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(5+d)Z version number 1 # Description: aug-cc-pV(5+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pv5+dz-autoaux b/src/basis/libraries.bse/aug-cc-pv5+dz-autoaux index 40ff9b4705..b5444402eb 100644 --- a/src/basis/libraries.bse/aug-cc-pv5+dz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pv5+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(5+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pv5z b/src/basis/libraries.bse/aug-cc-pv5z index fd2fe87c22..1d91d209dc 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z +++ b/src/basis/libraries.bse/aug-cc-pv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z version number 1 # Description: aug-cc-pV5Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pv5z-autoaux b/src/basis/libraries.bse/aug-cc-pv5z-autoaux index 53ff23f6ad..d4f2010b75 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-autoaux +++ b/src/basis/libraries.bse/aug-cc-pv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pv5z-dk b/src/basis/libraries.bse/aug-cc-pv5z-dk index 55c4df9262..09415e29ea 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-dk +++ b/src/basis/libraries.bse/aug-cc-pv5z-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-DK version number 0 # Description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pv5z-dk-autoaux b/src/basis/libraries.bse/aug-cc-pv5z-dk-autoaux index 5b8de32e88..2e0d783407 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pv5z-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pv5z-optri b/src/basis/libraries.bse/aug-cc-pv5z-optri index ed98224a6f..3ffed04354 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-optri +++ b/src/basis/libraries.bse/aug-cc-pv5z-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-OPTRI version number 0 # Description: aug-cc-pV5Z-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pv5z-pp b/src/basis/libraries.bse/aug-cc-pv5z-pp index 8781ed1731..2127605b92 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-pp +++ b/src/basis/libraries.bse/aug-cc-pv5z-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-PP version number 0 # Description: aug-cc-pV5Z-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pv5z-pp-autoaux b/src/basis/libraries.bse/aug-cc-pv5z-pp-autoaux index bd2454df14..6f1f931ace 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pv5z-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pv5z-pp-optri b/src/basis/libraries.bse/aug-cc-pv5z-pp-optri index 8c7ae4b9d6..139b5236de 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pv5z-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-PP-OPTRI version number 0 # Description: aug-cc-pV5Z-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pv5z-pp-rifit b/src/basis/libraries.bse/aug-cc-pv5z-pp-rifit index b3cf063e74..c13da0c94d 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pv5z-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-PP-RIFIT version number 0 # Description: aug-cc-pV5Z-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pv5z-rifit b/src/basis/libraries.bse/aug-cc-pv5z-rifit index ebffe88fdc..1a97da3712 100644 --- a/src/basis/libraries.bse/aug-cc-pv5z-rifit +++ b/src/basis/libraries.bse/aug-cc-pv5z-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV5Z-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pV5Z # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pv6z b/src/basis/libraries.bse/aug-cc-pv6z index 007b622357..0fccccccb7 100644 --- a/src/basis/libraries.bse/aug-cc-pv6z +++ b/src/basis/libraries.bse/aug-cc-pv6z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV6Z version number 1 # Description: aug-cc-pV6Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pv6z-autoaux b/src/basis/libraries.bse/aug-cc-pv6z-autoaux index 5cd89a9e7a..e7d0c16b51 100644 --- a/src/basis/libraries.bse/aug-cc-pv6z-autoaux +++ b/src/basis/libraries.bse/aug-cc-pv6z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV6Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pv6z-rifit b/src/basis/libraries.bse/aug-cc-pv6z-rifit index e62eb302ff..055572aaa6 100644 --- a/src/basis/libraries.bse/aug-cc-pv6z-rifit +++ b/src/basis/libraries.bse/aug-cc-pv6z-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV6Z-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pV6Z # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pv7z b/src/basis/libraries.bse/aug-cc-pv7z index c59836ccdd..754db17634 100644 --- a/src/basis/libraries.bse/aug-cc-pv7z +++ b/src/basis/libraries.bse/aug-cc-pv7z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV7Z version number 0 # Description: aug-cc-pV7Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pv7z-autoaux b/src/basis/libraries.bse/aug-cc-pv7z-autoaux index 946c039d40..4472facdc2 100644 --- a/src/basis/libraries.bse/aug-cc-pv7z-autoaux +++ b/src/basis/libraries.bse/aug-cc-pv7z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV7Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvd+dz b/src/basis/libraries.bse/aug-cc-pvd+dz index c1fcca0994..996c6dfe6b 100644 --- a/src/basis/libraries.bse/aug-cc-pvd+dz +++ b/src/basis/libraries.bse/aug-cc-pvd+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(D+d)Z version number 1 # Description: aug-cc-pV(D+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvd+dz-autoaux b/src/basis/libraries.bse/aug-cc-pvd+dz-autoaux index f2294c46af..7fd8582820 100644 --- a/src/basis/libraries.bse/aug-cc-pvd+dz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvd+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(D+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvdz b/src/basis/libraries.bse/aug-cc-pvdz index 5bae638527..85bbcad691 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz +++ b/src/basis/libraries.bse/aug-cc-pvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ version number 1 # Description: aug-cc-pVDZ # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvdz-autoaux b/src/basis/libraries.bse/aug-cc-pvdz-autoaux index a621e36d5a..1d9f906877 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvdz-dk b/src/basis/libraries.bse/aug-cc-pvdz-dk index 74019df485..945f52b5a9 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-dk +++ b/src/basis/libraries.bse/aug-cc-pvdz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-DK version number 0 # Description: VDZ2PD All-electron Douglas-Kroll Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvdz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pvdz-dk-autoaux index 744c103a2b..9af0525851 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvdz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvdz-dk3 b/src/basis/libraries.bse/aug-cc-pvdz-dk3 index a33b71568b..9f73424909 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-dk3 +++ b/src/basis/libraries.bse/aug-cc-pvdz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-DK3 version number 1 # Description: aug-cc-pVDZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvdz-dk3-autoaux b/src/basis/libraries.bse/aug-cc-pvdz-dk3-autoaux index a24e5d5fa8..09d68453fd 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-dk3-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvdz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvdz-optri b/src/basis/libraries.bse/aug-cc-pvdz-optri index 34c80714ee..160031cc44 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-optri +++ b/src/basis/libraries.bse/aug-cc-pvdz-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-OPTRI version number 0 # Description: aug-cc-pVDZ-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pvdz-pp b/src/basis/libraries.bse/aug-cc-pvdz-pp index c7861c32e1..651dc70aeb 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-pp +++ b/src/basis/libraries.bse/aug-cc-pvdz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-PP version number 0 # Description: aug-cc-pVDZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvdz-pp-autoaux b/src/basis/libraries.bse/aug-cc-pvdz-pp-autoaux index e8b2ec6d0a..0be3c4c27e 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvdz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvdz-pp-optri b/src/basis/libraries.bse/aug-cc-pvdz-pp-optri index e798f2d4d6..be0c60488e 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pvdz-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-PP-OPTRI version number 0 # Description: aug-cc-pVDZ-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pvdz-pp-rifit b/src/basis/libraries.bse/aug-cc-pvdz-pp-rifit index 5991b6dcf7..045430f3b5 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pvdz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-PP-RIFIT version number 0 # Description: aug-cc-pVDZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pvdz-rifit b/src/basis/libraries.bse/aug-cc-pvdz-rifit index 371875877d..2bcf156af7 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-rifit +++ b/src/basis/libraries.bse/aug-cc-pvdz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pVDZ # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pvdz-x2c b/src/basis/libraries.bse/aug-cc-pvdz-x2c index a1304960be..884722c498 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-x2c +++ b/src/basis/libraries.bse/aug-cc-pvdz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-X2C version number 1 # Description: aug-cc-pVDZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvdz-x2c-autoaux b/src/basis/libraries.bse/aug-cc-pvdz-x2c-autoaux index 537736ec7c..ac0b8ba46e 100644 --- a/src/basis/libraries.bse/aug-cc-pvdz-x2c-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvdz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVDZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvq+dz b/src/basis/libraries.bse/aug-cc-pvq+dz index 40dc18b3a5..9a41d2f044 100644 --- a/src/basis/libraries.bse/aug-cc-pvq+dz +++ b/src/basis/libraries.bse/aug-cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(Q+d)Z version number 1 # Description: aug-cc-pV(Q+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvq+dz-autoaux b/src/basis/libraries.bse/aug-cc-pvq+dz-autoaux index b97d1b75ee..a874b772d6 100644 --- a/src/basis/libraries.bse/aug-cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(Q+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvqz b/src/basis/libraries.bse/aug-cc-pvqz index 879cd81f6a..a4b417447e 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz +++ b/src/basis/libraries.bse/aug-cc-pvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ version number 1 # Description: aug-cc-pVQZ # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvqz-autoaux b/src/basis/libraries.bse/aug-cc-pvqz-autoaux index cc15f2a6a7..53477861ef 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvqz-dk b/src/basis/libraries.bse/aug-cc-pvqz-dk index 3868ef1f48..9b47b957ba 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-dk +++ b/src/basis/libraries.bse/aug-cc-pvqz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-DK version number 0 # Description: VQZPD All-electron Douglas-Kroll Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvqz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pvqz-dk-autoaux index a57b5d71f5..32fd3fe37a 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvqz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvqz-dk3 b/src/basis/libraries.bse/aug-cc-pvqz-dk3 index 77fed96b60..64480167ed 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-dk3 +++ b/src/basis/libraries.bse/aug-cc-pvqz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-DK3 version number 1 # Description: aug-cc-pVQZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvqz-dk3-autoaux b/src/basis/libraries.bse/aug-cc-pvqz-dk3-autoaux index b0b0aef641..62b9885847 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-dk3-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvqz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvqz-optri b/src/basis/libraries.bse/aug-cc-pvqz-optri index 886bff42fc..0748dc0856 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-optri +++ b/src/basis/libraries.bse/aug-cc-pvqz-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-OPTRI version number 0 # Description: aug-cc-pVQZ-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pvqz-pp b/src/basis/libraries.bse/aug-cc-pvqz-pp index 6e05e98962..52f4549ef8 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-pp +++ b/src/basis/libraries.bse/aug-cc-pvqz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-PP version number 0 # Description: aug-cc-pVQZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvqz-pp-autoaux b/src/basis/libraries.bse/aug-cc-pvqz-pp-autoaux index fe98cedc3c..641dce4133 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvqz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvqz-pp-optri b/src/basis/libraries.bse/aug-cc-pvqz-pp-optri index 4d050d5daa..9f6d2dc00e 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pvqz-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-PP-OPTRI version number 0 # Description: aug-cc-pVQZ-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pvqz-pp-rifit b/src/basis/libraries.bse/aug-cc-pvqz-pp-rifit index 8b3f4c3c9e..ceaecbfe4b 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pvqz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-PP-RIFIT version number 0 # Description: aug-cc-pVQZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pvqz-rifit b/src/basis/libraries.bse/aug-cc-pvqz-rifit index 79c532d83a..9c50f33156 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-rifit +++ b/src/basis/libraries.bse/aug-cc-pvqz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pVQZ # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pvqz-x2c b/src/basis/libraries.bse/aug-cc-pvqz-x2c index 06155e039b..73060ba9f0 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-x2c +++ b/src/basis/libraries.bse/aug-cc-pvqz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-X2C version number 1 # Description: aug-cc-pVQZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvqz-x2c-autoaux b/src/basis/libraries.bse/aug-cc-pvqz-x2c-autoaux index fdd6179693..019d48f97a 100644 --- a/src/basis/libraries.bse/aug-cc-pvqz-x2c-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvqz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVQZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvt+dz b/src/basis/libraries.bse/aug-cc-pvt+dz index fd2bfc58e9..b8cfeb670d 100644 --- a/src/basis/libraries.bse/aug-cc-pvt+dz +++ b/src/basis/libraries.bse/aug-cc-pvt+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(T+d)Z version number 1 # Description: aug-cc-pV(T+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvt+dz-autoaux b/src/basis/libraries.bse/aug-cc-pvt+dz-autoaux index 7be3497a99..e1a0170ec1 100644 --- a/src/basis/libraries.bse/aug-cc-pvt+dz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvt+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pV(T+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvtz b/src/basis/libraries.bse/aug-cc-pvtz index 79a8424558..e96d5118a8 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz +++ b/src/basis/libraries.bse/aug-cc-pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ version number 1 # Description: aug-cc-pVTZ # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvtz-autoaux b/src/basis/libraries.bse/aug-cc-pvtz-autoaux index 679eae1a7f..41ac47e204 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvtz-dk b/src/basis/libraries.bse/aug-cc-pvtz-dk index 118157a72b..38f249438e 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-dk +++ b/src/basis/libraries.bse/aug-cc-pvtz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-DK version number 0 # Description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvtz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pvtz-dk-autoaux index 4c3b863252..7c1960ec7d 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvtz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvtz-dk3 b/src/basis/libraries.bse/aug-cc-pvtz-dk3 index ab62e6c7a5..f25df4e153 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-dk3 +++ b/src/basis/libraries.bse/aug-cc-pvtz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-DK3 version number 1 # Description: aug-cc-pVTZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvtz-dk3-autoaux b/src/basis/libraries.bse/aug-cc-pvtz-dk3-autoaux index 2bbf234a76..33d421850c 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-dk3-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvtz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvtz-j b/src/basis/libraries.bse/aug-cc-pvtz-j index 237261633e..8ea31ece28 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-j +++ b/src/basis/libraries.bse/aug-cc-pvtz-j @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-J version number 0 # Description: aug-cc-pVTZ-J # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvtz-j-autoaux b/src/basis/libraries.bse/aug-cc-pvtz-j-autoaux index 1aa9278c01..424ce12c6e 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-j-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvtz-j-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-J version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvtz-optri b/src/basis/libraries.bse/aug-cc-pvtz-optri index c799570943..390f2e3849 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-optri +++ b/src/basis/libraries.bse/aug-cc-pvtz-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-OPTRI version number 0 # Description: aug-cc-pVTZ-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pvtz-pp b/src/basis/libraries.bse/aug-cc-pvtz-pp index bd70dc971e..350705ae93 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-pp +++ b/src/basis/libraries.bse/aug-cc-pvtz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-PP version number 0 # Description: aug-cc-pVTZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvtz-pp-autoaux b/src/basis/libraries.bse/aug-cc-pvtz-pp-autoaux index 8663011adf..5eb03b8b4d 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvtz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pvtz-pp-optri b/src/basis/libraries.bse/aug-cc-pvtz-pp-optri index b29c10562d..1f2f71be07 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pvtz-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-PP-OPTRI version number 0 # Description: aug-cc-pVTZ-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pvtz-pp-rifit b/src/basis/libraries.bse/aug-cc-pvtz-pp-rifit index 7a235d45af..666f81ad62 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pvtz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-PP-RIFIT version number 0 # Description: aug-cc-pVTZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pvtz-rifit b/src/basis/libraries.bse/aug-cc-pvtz-rifit index 5c8344d8b7..261b95fb5b 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-rifit +++ b/src/basis/libraries.bse/aug-cc-pvtz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pVTZ # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pvtz-x2c b/src/basis/libraries.bse/aug-cc-pvtz-x2c index 9a28886eaf..87e00a197b 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-x2c +++ b/src/basis/libraries.bse/aug-cc-pvtz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-X2C version number 1 # Description: aug-cc-pVTZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pvtz-x2c-autoaux b/src/basis/libraries.bse/aug-cc-pvtz-x2c-autoaux index 306015072e..9c25a423fe 100644 --- a/src/basis/libraries.bse/aug-cc-pvtz-x2c-autoaux +++ b/src/basis/libraries.bse/aug-cc-pvtz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pVTZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z b/src/basis/libraries.bse/aug-cc-pwcv5z index bd5dd2b12d..aff6711ea8 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z +++ b/src/basis/libraries.bse/aug-cc-pwcv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z version number 0 # Description: 5Z4P Quintuple Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-autoaux b/src/basis/libraries.bse/aug-cc-pwcv5z-autoaux index f623a6a687..4e42974c4e 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-dk b/src/basis/libraries.bse/aug-cc-pwcv5z-dk index 308a68a2d4..0e6cc9f3dd 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-dk +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-DK version number 0 # Description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-dk-autoaux b/src/basis/libraries.bse/aug-cc-pwcv5z-dk-autoaux index 474160d5f5..67326f7f80 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-pp b/src/basis/libraries.bse/aug-cc-pwcv5z-pp index b926ffeb85..922b61c646 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-pp +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-PP version number 0 # Description: aug-cc-pwCV5Z-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-pp-autoaux b/src/basis/libraries.bse/aug-cc-pwcv5z-pp-autoaux index a28752c1c0..2d8dd87e6c 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-pp-optri b/src/basis/libraries.bse/aug-cc-pwcv5z-pp-optri index 6d41ddb3b6..b408501e21 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-PP-OPTRI version number 0 # Description: aug-cc-pwCV5Z-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-pp-rifit b/src/basis/libraries.bse/aug-cc-pwcv5z-pp-rifit index ae860368ee..01ddc4d883 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-PP-RIFIT version number 0 # Description: aug-cc-pwCV5Z-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcv5z-rifit b/src/basis/libraries.bse/aug-cc-pwcv5z-rifit index dfdbb5471b..536383a2f0 100644 --- a/src/basis/libraries.bse/aug-cc-pwcv5z-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcv5z-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCV5Z-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pwCV5Z # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz b/src/basis/libraries.bse/aug-cc-pwcvdz index 93f8c1c885..f21b34d1b7 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz +++ b/src/basis/libraries.bse/aug-cc-pwcvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ version number 0 # Description: DZP Double Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-autoaux b/src/basis/libraries.bse/aug-cc-pwcvdz-autoaux index 5675c5c5d5..21bce9aabd 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-dk3 b/src/basis/libraries.bse/aug-cc-pwcvdz-dk3 index 965418825f..7ad6726d8c 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-dk3 +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-DK3 version number 1 # Description: aug-cc-pwCVDZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-dk3-autoaux b/src/basis/libraries.bse/aug-cc-pwcvdz-dk3-autoaux index d379953e94..e131d28ee8 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-dk3-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-pp b/src/basis/libraries.bse/aug-cc-pwcvdz-pp index 8abfaedd28..1387fb2c20 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-pp +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-PP version number 0 # Description: aug-cc-pwCVDZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-pp-autoaux b/src/basis/libraries.bse/aug-cc-pwcvdz-pp-autoaux index 7430288a7a..bd9ac39f32 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-pp-optri b/src/basis/libraries.bse/aug-cc-pwcvdz-pp-optri index cae980a814..93f740b546 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-PP-OPTRI version number 0 # Description: aug-cc-pwCVDZ-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-pp-rifit b/src/basis/libraries.bse/aug-cc-pwcvdz-pp-rifit index e7301543d7..86c85f671d 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-PP-RIFIT version number 0 # Description: aug-cc-pwCVDZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-rifit b/src/basis/libraries.bse/aug-cc-pwcvdz-rifit index 1cb173ba85..505d4d8e44 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pwCVDZ # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-x2c b/src/basis/libraries.bse/aug-cc-pwcvdz-x2c index aef923466f..75b7898da1 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-x2c +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-X2C version number 1 # Description: aug-cc-pwCVDZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvdz-x2c-autoaux b/src/basis/libraries.bse/aug-cc-pwcvdz-x2c-autoaux index 86ee81ebd4..795d944c3a 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvdz-x2c-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvdz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVDZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz b/src/basis/libraries.bse/aug-cc-pwcvqz index 970786a1ef..e723213fed 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz +++ b/src/basis/libraries.bse/aug-cc-pwcvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ version number 0 # Description: QZ3P Quadruple Zeta + Polarization + Tight Core + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-autoaux b/src/basis/libraries.bse/aug-cc-pwcvqz-autoaux index 896fb017e9..1e9a92e230 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-dk b/src/basis/libraries.bse/aug-cc-pwcvqz-dk index f672ca4c00..b0227a80d1 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-dk +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-DK version number 0 # Description: VQZPD All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pwcvqz-dk-autoaux index 2baba37a76..aa2064b810 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-dk3 b/src/basis/libraries.bse/aug-cc-pwcvqz-dk3 index 969084d7dd..31d7a80674 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-dk3 +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-DK3 version number 1 # Description: aug-cc-pwCVQZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-dk3-autoaux b/src/basis/libraries.bse/aug-cc-pwcvqz-dk3-autoaux index f3147dbad4..7153b4c25c 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-dk3-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-pp b/src/basis/libraries.bse/aug-cc-pwcvqz-pp index 1a197559cd..8f0d83521b 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-pp +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-PP version number 0 # Description: aug-cc-pwCVQZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-pp-autoaux b/src/basis/libraries.bse/aug-cc-pwcvqz-pp-autoaux index cc219548a8..fe2cb22f1c 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-pp-optri b/src/basis/libraries.bse/aug-cc-pwcvqz-pp-optri index da2835c344..5e475b7596 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-PP-OPTRI version number 0 # Description: aug-cc-pwCVQZ-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-pp-rifit b/src/basis/libraries.bse/aug-cc-pwcvqz-pp-rifit index 3371cad128..31e819ba71 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-PP-RIFIT version number 0 # Description: aug-cc-pwCVQZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-rifit b/src/basis/libraries.bse/aug-cc-pwcvqz-rifit index c850a57be8..5305530b7a 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pwCVQZ # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-x2c b/src/basis/libraries.bse/aug-cc-pwcvqz-x2c index 1ec01b69a0..3ee65390ac 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-x2c +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-X2C version number 1 # Description: aug-cc-pwCVQZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvqz-x2c-autoaux b/src/basis/libraries.bse/aug-cc-pwcvqz-x2c-autoaux index 79aced8498..fbd345f409 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvqz-x2c-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvqz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVQZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz b/src/basis/libraries.bse/aug-cc-pwcvtz index 9147e71ff9..0ed39726e7 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz +++ b/src/basis/libraries.bse/aug-cc-pwcvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ version number 0 # Description: TZ2P Triple Zeta + Polarization + Tight Core + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-autoaux b/src/basis/libraries.bse/aug-cc-pwcvtz-autoaux index 2abb74c0dc..ddf35eb68a 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-dk b/src/basis/libraries.bse/aug-cc-pwcvtz-dk index f936ae9a52..cc640bb973 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-dk +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-DK version number 0 # Description: VTZ2P All-electron Douglas-Kroll Core-Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-dk-autoaux b/src/basis/libraries.bse/aug-cc-pwcvtz-dk-autoaux index a6a63c538f..b1db7f90fb 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-dk-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-dk3 b/src/basis/libraries.bse/aug-cc-pwcvtz-dk3 index 4f0a9f31b7..5f5179019a 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-dk3 +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-DK3 version number 1 # Description: aug-cc-pwCVTZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-dk3-autoaux b/src/basis/libraries.bse/aug-cc-pwcvtz-dk3-autoaux index f437120162..43daa03769 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-dk3-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-pp b/src/basis/libraries.bse/aug-cc-pwcvtz-pp index 8c66922cdd..5f7f80bdd5 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-pp +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-PP version number 0 # Description: aug-cc-pwCVTZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-pp-autoaux b/src/basis/libraries.bse/aug-cc-pwcvtz-pp-autoaux index 4bfffedf3f..0a7c06af5e 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-pp-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-pp-optri b/src/basis/libraries.bse/aug-cc-pwcvtz-pp-optri index b03682c07a..0aa534e293 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-pp-optri +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-pp-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-PP-OPTRI version number 0 # Description: aug-cc-pwCVTZ-PP-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-pp-rifit b/src/basis/libraries.bse/aug-cc-pwcvtz-pp-rifit index 9a377227a8..193ffae97f 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-pp-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-PP-RIFIT version number 0 # Description: aug-cc-pwCVTZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-rifit b/src/basis/libraries.bse/aug-cc-pwcvtz-rifit index 4220a59624..74761dfef3 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-rifit +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-RIFIT version number 1 # Description: RI Fitting basis for use with aug-cc-pwCVTZ # Role: rifit diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-x2c b/src/basis/libraries.bse/aug-cc-pwcvtz-x2c index 4a68a86d87..96f94225fe 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-x2c +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-X2C version number 1 # Description: aug-cc-pwCVTZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/aug-cc-pwcvtz-x2c-autoaux b/src/basis/libraries.bse/aug-cc-pwcvtz-x2c-autoaux index 6401fc8915..d3f416e8a1 100644 --- a/src/basis/libraries.bse/aug-cc-pwcvtz-x2c-autoaux +++ b/src/basis/libraries.bse/aug-cc-pwcvtz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-cc-pwCVTZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-ccx-5z b/src/basis/libraries.bse/aug-ccx-5z index 439fde24cc..d46223c283 100644 --- a/src/basis/libraries.bse/aug-ccx-5z +++ b/src/basis/libraries.bse/aug-ccx-5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-5Z version number 1 # Description: Augmented basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/aug-ccx-5z-autoaux b/src/basis/libraries.bse/aug-ccx-5z-autoaux index 8b5dc4e798..d42ebb22bb 100644 --- a/src/basis/libraries.bse/aug-ccx-5z-autoaux +++ b/src/basis/libraries.bse/aug-ccx-5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-5Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-ccx-dz b/src/basis/libraries.bse/aug-ccx-dz index 3452bd1c5b..d162a4904c 100644 --- a/src/basis/libraries.bse/aug-ccx-dz +++ b/src/basis/libraries.bse/aug-ccx-dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-DZ version number 1 # Description: Augmented basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/aug-ccx-dz-autoaux b/src/basis/libraries.bse/aug-ccx-dz-autoaux index 374da72183..c094f93f7d 100644 --- a/src/basis/libraries.bse/aug-ccx-dz-autoaux +++ b/src/basis/libraries.bse/aug-ccx-dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-DZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-ccx-qz b/src/basis/libraries.bse/aug-ccx-qz index ae74b9e239..2664b2b134 100644 --- a/src/basis/libraries.bse/aug-ccx-qz +++ b/src/basis/libraries.bse/aug-ccx-qz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-QZ version number 1 # Description: Augmented basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/aug-ccx-qz-autoaux b/src/basis/libraries.bse/aug-ccx-qz-autoaux index f2b3f91523..6d215ae13e 100644 --- a/src/basis/libraries.bse/aug-ccx-qz-autoaux +++ b/src/basis/libraries.bse/aug-ccx-qz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-QZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-ccx-tz b/src/basis/libraries.bse/aug-ccx-tz index 68ed693bc0..0b140ef205 100644 --- a/src/basis/libraries.bse/aug-ccx-tz +++ b/src/basis/libraries.bse/aug-ccx-tz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-TZ version number 1 # Description: Augmented basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/aug-ccx-tz-autoaux b/src/basis/libraries.bse/aug-ccx-tz-autoaux index 7abf9645a2..a36f18897a 100644 --- a/src/basis/libraries.bse/aug-ccx-tz-autoaux +++ b/src/basis/libraries.bse/aug-ccx-tz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-ccX-TZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-mcc-pv5z b/src/basis/libraries.bse/aug-mcc-pv5z index 2730166ef5..53d2cb702d 100644 --- a/src/basis/libraries.bse/aug-mcc-pv5z +++ b/src/basis/libraries.bse/aug-mcc-pv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV5Z version number 0 # Description: aug-mcc-pV5Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-mcc-pv5z-autoaux b/src/basis/libraries.bse/aug-mcc-pv5z-autoaux index f9c689f4df..d16090ed34 100644 --- a/src/basis/libraries.bse/aug-mcc-pv5z-autoaux +++ b/src/basis/libraries.bse/aug-mcc-pv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-mcc-pv6z b/src/basis/libraries.bse/aug-mcc-pv6z index 7f0f8dc509..780640557c 100644 --- a/src/basis/libraries.bse/aug-mcc-pv6z +++ b/src/basis/libraries.bse/aug-mcc-pv6z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV6Z version number 0 # Description: aug-mcc-pV6Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-mcc-pv6z-autoaux b/src/basis/libraries.bse/aug-mcc-pv6z-autoaux index 3495098d5d..d1a2a04d64 100644 --- a/src/basis/libraries.bse/aug-mcc-pv6z-autoaux +++ b/src/basis/libraries.bse/aug-mcc-pv6z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV6Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-mcc-pv7z b/src/basis/libraries.bse/aug-mcc-pv7z index ed5f22c8c1..776060fff5 100644 --- a/src/basis/libraries.bse/aug-mcc-pv7z +++ b/src/basis/libraries.bse/aug-mcc-pv7z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV7Z version number 0 # Description: aug-mcc-pV7Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-mcc-pv7z-autoaux b/src/basis/libraries.bse/aug-mcc-pv7z-autoaux index 370c583234..2bbd9f9752 100644 --- a/src/basis/libraries.bse/aug-mcc-pv7z-autoaux +++ b/src/basis/libraries.bse/aug-mcc-pv7z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV7Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-mcc-pv8z b/src/basis/libraries.bse/aug-mcc-pv8z index 0caea60c55..88f017c7e4 100644 --- a/src/basis/libraries.bse/aug-mcc-pv8z +++ b/src/basis/libraries.bse/aug-mcc-pv8z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV8Z version number 0 # Description: aug-mcc-pV8Z # Role: orbital diff --git a/src/basis/libraries.bse/aug-mcc-pv8z-autoaux b/src/basis/libraries.bse/aug-mcc-pv8z-autoaux index 3f05a394e8..106fb663d2 100644 --- a/src/basis/libraries.bse/aug-mcc-pv8z-autoaux +++ b/src/basis/libraries.bse/aug-mcc-pv8z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pV8Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-mcc-pvqz b/src/basis/libraries.bse/aug-mcc-pvqz index e912cd625c..679a3bf2fa 100644 --- a/src/basis/libraries.bse/aug-mcc-pvqz +++ b/src/basis/libraries.bse/aug-mcc-pvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pVQZ version number 0 # Description: aug-mcc-pVQZ # Role: orbital diff --git a/src/basis/libraries.bse/aug-mcc-pvqz-autoaux b/src/basis/libraries.bse/aug-mcc-pvqz-autoaux index 62d9f17ad0..f94a2c3919 100644 --- a/src/basis/libraries.bse/aug-mcc-pvqz-autoaux +++ b/src/basis/libraries.bse/aug-mcc-pvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-mcc-pvtz b/src/basis/libraries.bse/aug-mcc-pvtz index a549fec00f..6c78bd1de0 100644 --- a/src/basis/libraries.bse/aug-mcc-pvtz +++ b/src/basis/libraries.bse/aug-mcc-pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pVTZ version number 0 # Description: aug-mcc-pVTZ # Role: orbital diff --git a/src/basis/libraries.bse/aug-mcc-pvtz-autoaux b/src/basis/libraries.bse/aug-mcc-pvtz-autoaux index 22ea032ee4..4f5e327072 100644 --- a/src/basis/libraries.bse/aug-mcc-pvtz-autoaux +++ b/src/basis/libraries.bse/aug-mcc-pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-mcc-pVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pc-0 b/src/basis/libraries.bse/aug-pc-0 index b2c54f41a7..de467d0c2a 100644 --- a/src/basis/libraries.bse/aug-pc-0 +++ b/src/basis/libraries.bse/aug-pc-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-0 version number 0 # Description: aug-pc-0 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pc-0-autoaux b/src/basis/libraries.bse/aug-pc-0-autoaux index 8aa5841494..32f0bfb79d 100644 --- a/src/basis/libraries.bse/aug-pc-0-autoaux +++ b/src/basis/libraries.bse/aug-pc-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-0 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pc-1 b/src/basis/libraries.bse/aug-pc-1 index 071da72351..1e00673c6b 100644 --- a/src/basis/libraries.bse/aug-pc-1 +++ b/src/basis/libraries.bse/aug-pc-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-1 version number 0 # Description: aug-pc-1 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pc-1-autoaux b/src/basis/libraries.bse/aug-pc-1-autoaux index 4c46e59666..763878fd46 100644 --- a/src/basis/libraries.bse/aug-pc-1-autoaux +++ b/src/basis/libraries.bse/aug-pc-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-1 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pc-2 b/src/basis/libraries.bse/aug-pc-2 index bf9235f9e4..0e01707407 100644 --- a/src/basis/libraries.bse/aug-pc-2 +++ b/src/basis/libraries.bse/aug-pc-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-2 version number 0 # Description: aug-pc-2 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pc-2-autoaux b/src/basis/libraries.bse/aug-pc-2-autoaux index d86d08ca6e..659cad8715 100644 --- a/src/basis/libraries.bse/aug-pc-2-autoaux +++ b/src/basis/libraries.bse/aug-pc-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pc-3 b/src/basis/libraries.bse/aug-pc-3 index 30f8569457..e50b6b7461 100644 --- a/src/basis/libraries.bse/aug-pc-3 +++ b/src/basis/libraries.bse/aug-pc-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-3 version number 0 # Description: aug-pc-3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pc-3-autoaux b/src/basis/libraries.bse/aug-pc-3-autoaux index fd86280e74..154738ce3e 100644 --- a/src/basis/libraries.bse/aug-pc-3-autoaux +++ b/src/basis/libraries.bse/aug-pc-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pc-4 b/src/basis/libraries.bse/aug-pc-4 index 862fa7d567..3a25f4a98b 100644 --- a/src/basis/libraries.bse/aug-pc-4 +++ b/src/basis/libraries.bse/aug-pc-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-4 version number 0 # Description: aug-pc-4 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pc-4-autoaux b/src/basis/libraries.bse/aug-pc-4-autoaux index 49293738f2..d9f3e25418 100644 --- a/src/basis/libraries.bse/aug-pc-4-autoaux +++ b/src/basis/libraries.bse/aug-pc-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pc-4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pch-1 b/src/basis/libraries.bse/aug-pch-1 index 95364a1893..a810dcefe2 100644 --- a/src/basis/libraries.bse/aug-pch-1 +++ b/src/basis/libraries.bse/aug-pch-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-1 version number 1 # Description: aug-pcH-1 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pch-1-autoaux b/src/basis/libraries.bse/aug-pch-1-autoaux index 52f44cb33d..b9fc08bffd 100644 --- a/src/basis/libraries.bse/aug-pch-1-autoaux +++ b/src/basis/libraries.bse/aug-pch-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pch-2 b/src/basis/libraries.bse/aug-pch-2 index f2f09b6d0f..da34a19802 100644 --- a/src/basis/libraries.bse/aug-pch-2 +++ b/src/basis/libraries.bse/aug-pch-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-2 version number 1 # Description: aug-pcH-2 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pch-2-autoaux b/src/basis/libraries.bse/aug-pch-2-autoaux index efa73e630e..7e95e69a80 100644 --- a/src/basis/libraries.bse/aug-pch-2-autoaux +++ b/src/basis/libraries.bse/aug-pch-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pch-3 b/src/basis/libraries.bse/aug-pch-3 index e638040748..88b8ee88f5 100644 --- a/src/basis/libraries.bse/aug-pch-3 +++ b/src/basis/libraries.bse/aug-pch-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-3 version number 1 # Description: aug-pcH-3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pch-3-autoaux b/src/basis/libraries.bse/aug-pch-3-autoaux index bc3f5ec53c..84484c1034 100644 --- a/src/basis/libraries.bse/aug-pch-3-autoaux +++ b/src/basis/libraries.bse/aug-pch-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pch-4 b/src/basis/libraries.bse/aug-pch-4 index 2514931357..c9d996eafa 100644 --- a/src/basis/libraries.bse/aug-pch-4 +++ b/src/basis/libraries.bse/aug-pch-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-4 version number 1 # Description: aug-pcH-4 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pch-4-autoaux b/src/basis/libraries.bse/aug-pch-4-autoaux index b8b7aa5dc9..f4aca16cf7 100644 --- a/src/basis/libraries.bse/aug-pch-4-autoaux +++ b/src/basis/libraries.bse/aug-pch-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcH-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-0 b/src/basis/libraries.bse/aug-pcj-0 index 9c2d7f4e9c..304b9e06b0 100644 --- a/src/basis/libraries.bse/aug-pcj-0 +++ b/src/basis/libraries.bse/aug-pcj-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-0 version number 1 # Description: Contracted version of the aug-pcJ-0 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-0-autoaux b/src/basis/libraries.bse/aug-pcj-0-autoaux index 4fed252c26..78fbcb148c 100644 --- a/src/basis/libraries.bse/aug-pcj-0-autoaux +++ b/src/basis/libraries.bse/aug-pcj-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-0 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-0_2006 b/src/basis/libraries.bse/aug-pcj-0_2006 index b8bc0316e6..266bfd2370 100644 --- a/src/basis/libraries.bse/aug-pcj-0_2006 +++ b/src/basis/libraries.bse/aug-pcj-0_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-0_2006 version number 0 # Description: aug-pcJ-0_2006 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-0_2006-autoaux b/src/basis/libraries.bse/aug-pcj-0_2006-autoaux index 8afdba3400..88dc660ed2 100644 --- a/src/basis/libraries.bse/aug-pcj-0_2006-autoaux +++ b/src/basis/libraries.bse/aug-pcj-0_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-0_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-1 b/src/basis/libraries.bse/aug-pcj-1 index d5874e11ae..3b7af4ad82 100644 --- a/src/basis/libraries.bse/aug-pcj-1 +++ b/src/basis/libraries.bse/aug-pcj-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-1 version number 1 # Description: Contracted version of the aug-pcJ-1 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-1-autoaux b/src/basis/libraries.bse/aug-pcj-1-autoaux index 4b16733b40..36205c4871 100644 --- a/src/basis/libraries.bse/aug-pcj-1-autoaux +++ b/src/basis/libraries.bse/aug-pcj-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-1_2006 b/src/basis/libraries.bse/aug-pcj-1_2006 index ca345543be..f440ff103f 100644 --- a/src/basis/libraries.bse/aug-pcj-1_2006 +++ b/src/basis/libraries.bse/aug-pcj-1_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-1_2006 version number 0 # Description: aug-pcJ-1_2006 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-1_2006-autoaux b/src/basis/libraries.bse/aug-pcj-1_2006-autoaux index 0993eb9c0e..5b63e98a10 100644 --- a/src/basis/libraries.bse/aug-pcj-1_2006-autoaux +++ b/src/basis/libraries.bse/aug-pcj-1_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-1_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-2 b/src/basis/libraries.bse/aug-pcj-2 index 6e28c68585..6e77c80f10 100644 --- a/src/basis/libraries.bse/aug-pcj-2 +++ b/src/basis/libraries.bse/aug-pcj-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-2 version number 1 # Description: Contracted version of the aug-pcJ-2 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-2-autoaux b/src/basis/libraries.bse/aug-pcj-2-autoaux index 404d10e024..91a16604fb 100644 --- a/src/basis/libraries.bse/aug-pcj-2-autoaux +++ b/src/basis/libraries.bse/aug-pcj-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-2_2006 b/src/basis/libraries.bse/aug-pcj-2_2006 index e27fcf2bba..e0cb45fcf4 100644 --- a/src/basis/libraries.bse/aug-pcj-2_2006 +++ b/src/basis/libraries.bse/aug-pcj-2_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-2_2006 version number 0 # Description: aug-pcJ-2_2006 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-2_2006-autoaux b/src/basis/libraries.bse/aug-pcj-2_2006-autoaux index d19ea4a0a3..e9a84d5533 100644 --- a/src/basis/libraries.bse/aug-pcj-2_2006-autoaux +++ b/src/basis/libraries.bse/aug-pcj-2_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-2_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-3 b/src/basis/libraries.bse/aug-pcj-3 index f55230583c..1563e65ac5 100644 --- a/src/basis/libraries.bse/aug-pcj-3 +++ b/src/basis/libraries.bse/aug-pcj-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-3 version number 1 # Description: Contracted version of the aug-pcJ-3 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-3-autoaux b/src/basis/libraries.bse/aug-pcj-3-autoaux index e630c4b2cd..f8c4f93216 100644 --- a/src/basis/libraries.bse/aug-pcj-3-autoaux +++ b/src/basis/libraries.bse/aug-pcj-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-3_2006 b/src/basis/libraries.bse/aug-pcj-3_2006 index dce81ede0d..4b5e48b067 100644 --- a/src/basis/libraries.bse/aug-pcj-3_2006 +++ b/src/basis/libraries.bse/aug-pcj-3_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-3_2006 version number 0 # Description: aug-pcJ-3_2006 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-3_2006-autoaux b/src/basis/libraries.bse/aug-pcj-3_2006-autoaux index 0f61338c24..50349e1d48 100644 --- a/src/basis/libraries.bse/aug-pcj-3_2006-autoaux +++ b/src/basis/libraries.bse/aug-pcj-3_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-3_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-4 b/src/basis/libraries.bse/aug-pcj-4 index f937a8eeaa..4c1e170524 100644 --- a/src/basis/libraries.bse/aug-pcj-4 +++ b/src/basis/libraries.bse/aug-pcj-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-4 version number 1 # Description: Contracted version of the aug-pcJ-4 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-4-autoaux b/src/basis/libraries.bse/aug-pcj-4-autoaux index ca4fbe7231..9487d65133 100644 --- a/src/basis/libraries.bse/aug-pcj-4-autoaux +++ b/src/basis/libraries.bse/aug-pcj-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcj-4_2006 b/src/basis/libraries.bse/aug-pcj-4_2006 index 3ff1f4b6f8..0928e779f2 100644 --- a/src/basis/libraries.bse/aug-pcj-4_2006 +++ b/src/basis/libraries.bse/aug-pcj-4_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-4_2006 version number 0 # Description: aug-pcJ-4_2006 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcj-4_2006-autoaux b/src/basis/libraries.bse/aug-pcj-4_2006-autoaux index 267e8f432e..85685bb18e 100644 --- a/src/basis/libraries.bse/aug-pcj-4_2006-autoaux +++ b/src/basis/libraries.bse/aug-pcj-4_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcJ-4_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcs-0 b/src/basis/libraries.bse/aug-pcs-0 index e71ea96d67..cac3e8533e 100644 --- a/src/basis/libraries.bse/aug-pcs-0 +++ b/src/basis/libraries.bse/aug-pcs-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-0 version number 0 # Description: aug-pcS-0 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcs-0-autoaux b/src/basis/libraries.bse/aug-pcs-0-autoaux index a52119e4ee..98125488d3 100644 --- a/src/basis/libraries.bse/aug-pcs-0-autoaux +++ b/src/basis/libraries.bse/aug-pcs-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-0 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcs-1 b/src/basis/libraries.bse/aug-pcs-1 index ebecec0771..00e079eb32 100644 --- a/src/basis/libraries.bse/aug-pcs-1 +++ b/src/basis/libraries.bse/aug-pcs-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-1 version number 0 # Description: aug-pcS-1 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcs-1-autoaux b/src/basis/libraries.bse/aug-pcs-1-autoaux index 6696c67340..90d2462699 100644 --- a/src/basis/libraries.bse/aug-pcs-1-autoaux +++ b/src/basis/libraries.bse/aug-pcs-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-1 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcs-2 b/src/basis/libraries.bse/aug-pcs-2 index f54d055d13..48f066fe2f 100644 --- a/src/basis/libraries.bse/aug-pcs-2 +++ b/src/basis/libraries.bse/aug-pcs-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-2 version number 0 # Description: aug-pcS-2 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcs-2-autoaux b/src/basis/libraries.bse/aug-pcs-2-autoaux index 9857292021..ccf491e0f8 100644 --- a/src/basis/libraries.bse/aug-pcs-2-autoaux +++ b/src/basis/libraries.bse/aug-pcs-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcs-3 b/src/basis/libraries.bse/aug-pcs-3 index cb52fd0288..cc91fbf02f 100644 --- a/src/basis/libraries.bse/aug-pcs-3 +++ b/src/basis/libraries.bse/aug-pcs-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-3 version number 0 # Description: aug-pcS-3 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcs-3-autoaux b/src/basis/libraries.bse/aug-pcs-3-autoaux index 8e16dcca08..26e92bdebf 100644 --- a/src/basis/libraries.bse/aug-pcs-3-autoaux +++ b/src/basis/libraries.bse/aug-pcs-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcs-4 b/src/basis/libraries.bse/aug-pcs-4 index 5c9fa31eeb..c61f3923d3 100644 --- a/src/basis/libraries.bse/aug-pcs-4 +++ b/src/basis/libraries.bse/aug-pcs-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-4 version number 0 # Description: aug-pcS-4 # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcs-4-autoaux b/src/basis/libraries.bse/aug-pcs-4-autoaux index 4467d9903f..7664c66230 100644 --- a/src/basis/libraries.bse/aug-pcs-4-autoaux +++ b/src/basis/libraries.bse/aug-pcs-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcS-4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcseg-0 b/src/basis/libraries.bse/aug-pcseg-0 index 66bb8abb2d..d362836c58 100644 --- a/src/basis/libraries.bse/aug-pcseg-0 +++ b/src/basis/libraries.bse/aug-pcseg-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-0 version number 1 # Description: Segmented contracted version of the aug-pc-0 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcseg-0-autoaux b/src/basis/libraries.bse/aug-pcseg-0-autoaux index e26250b964..a5d3663b63 100644 --- a/src/basis/libraries.bse/aug-pcseg-0-autoaux +++ b/src/basis/libraries.bse/aug-pcseg-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-0 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcseg-1 b/src/basis/libraries.bse/aug-pcseg-1 index 1f3516a078..260305a1fc 100644 --- a/src/basis/libraries.bse/aug-pcseg-1 +++ b/src/basis/libraries.bse/aug-pcseg-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-1 version number 1 # Description: Segmented contracted version of the aug-pc-1 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcseg-1-autoaux b/src/basis/libraries.bse/aug-pcseg-1-autoaux index 329140c712..730c25b57b 100644 --- a/src/basis/libraries.bse/aug-pcseg-1-autoaux +++ b/src/basis/libraries.bse/aug-pcseg-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcseg-2 b/src/basis/libraries.bse/aug-pcseg-2 index bc25a9499e..054f614e52 100644 --- a/src/basis/libraries.bse/aug-pcseg-2 +++ b/src/basis/libraries.bse/aug-pcseg-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-2 version number 1 # Description: Segmented contracted version of the aug-pc-2 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcseg-2-autoaux b/src/basis/libraries.bse/aug-pcseg-2-autoaux index 2fb7d5ead1..d5719c4bf8 100644 --- a/src/basis/libraries.bse/aug-pcseg-2-autoaux +++ b/src/basis/libraries.bse/aug-pcseg-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcseg-3 b/src/basis/libraries.bse/aug-pcseg-3 index 81caaa319c..aeb8d86099 100644 --- a/src/basis/libraries.bse/aug-pcseg-3 +++ b/src/basis/libraries.bse/aug-pcseg-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-3 version number 1 # Description: Segmented contracted version of the aug-pc-3 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcseg-3-autoaux b/src/basis/libraries.bse/aug-pcseg-3-autoaux index 4c633a6645..e90f533fd8 100644 --- a/src/basis/libraries.bse/aug-pcseg-3-autoaux +++ b/src/basis/libraries.bse/aug-pcseg-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcseg-4 b/src/basis/libraries.bse/aug-pcseg-4 index 5f41c0acf0..f0eadb49db 100644 --- a/src/basis/libraries.bse/aug-pcseg-4 +++ b/src/basis/libraries.bse/aug-pcseg-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-4 version number 1 # Description: Segmented contracted version of the aug-pc-4 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcseg-4-autoaux b/src/basis/libraries.bse/aug-pcseg-4-autoaux index 578f798c7b..bc84aa4a54 100644 --- a/src/basis/libraries.bse/aug-pcseg-4-autoaux +++ b/src/basis/libraries.bse/aug-pcseg-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcseg-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcsseg-0 b/src/basis/libraries.bse/aug-pcsseg-0 index 9495c71b10..f4f99b23c3 100644 --- a/src/basis/libraries.bse/aug-pcsseg-0 +++ b/src/basis/libraries.bse/aug-pcsseg-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-0 version number 1 # Description: Segmented contracted version of the aug-pcS-0 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcsseg-0-autoaux b/src/basis/libraries.bse/aug-pcsseg-0-autoaux index 98b43348e8..afd7dc85c2 100644 --- a/src/basis/libraries.bse/aug-pcsseg-0-autoaux +++ b/src/basis/libraries.bse/aug-pcsseg-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-0 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcsseg-1 b/src/basis/libraries.bse/aug-pcsseg-1 index bf0c8767e9..7d7695d934 100644 --- a/src/basis/libraries.bse/aug-pcsseg-1 +++ b/src/basis/libraries.bse/aug-pcsseg-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-1 version number 1 # Description: Segmented contracted version of the aug-pcS-1 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcsseg-1-autoaux b/src/basis/libraries.bse/aug-pcsseg-1-autoaux index b1e73acf56..c57afa534b 100644 --- a/src/basis/libraries.bse/aug-pcsseg-1-autoaux +++ b/src/basis/libraries.bse/aug-pcsseg-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcsseg-2 b/src/basis/libraries.bse/aug-pcsseg-2 index c970588e1e..4b0a217f2c 100644 --- a/src/basis/libraries.bse/aug-pcsseg-2 +++ b/src/basis/libraries.bse/aug-pcsseg-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-2 version number 1 # Description: Segmented contracted version of the aug-pcS-2 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcsseg-2-autoaux b/src/basis/libraries.bse/aug-pcsseg-2-autoaux index d85b0a8a08..49d9ae4352 100644 --- a/src/basis/libraries.bse/aug-pcsseg-2-autoaux +++ b/src/basis/libraries.bse/aug-pcsseg-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcsseg-3 b/src/basis/libraries.bse/aug-pcsseg-3 index de78423eb6..58bf84f996 100644 --- a/src/basis/libraries.bse/aug-pcsseg-3 +++ b/src/basis/libraries.bse/aug-pcsseg-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-3 version number 1 # Description: Segmented contracted version of the aug-pcS-3 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcsseg-3-autoaux b/src/basis/libraries.bse/aug-pcsseg-3-autoaux index 07ec9a649b..16abf88119 100644 --- a/src/basis/libraries.bse/aug-pcsseg-3-autoaux +++ b/src/basis/libraries.bse/aug-pcsseg-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcsseg-4 b/src/basis/libraries.bse/aug-pcsseg-4 index 86cca0081a..52aed2f759 100644 --- a/src/basis/libraries.bse/aug-pcsseg-4 +++ b/src/basis/libraries.bse/aug-pcsseg-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-4 version number 1 # Description: Segmented contracted version of the aug-pcS-4 basis # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcsseg-4-autoaux b/src/basis/libraries.bse/aug-pcsseg-4-autoaux index c24e05331c..27be6397f4 100644 --- a/src/basis/libraries.bse/aug-pcsseg-4-autoaux +++ b/src/basis/libraries.bse/aug-pcsseg-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcSseg-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcx-1 b/src/basis/libraries.bse/aug-pcx-1 index 3844953252..f9d7a538c2 100644 --- a/src/basis/libraries.bse/aug-pcx-1 +++ b/src/basis/libraries.bse/aug-pcx-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-1 version number 1 # Description: Jensen aug-pcX basis set (containing diffuse functions) optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcx-1-autoaux b/src/basis/libraries.bse/aug-pcx-1-autoaux index 6242287137..4c95c56f53 100644 --- a/src/basis/libraries.bse/aug-pcx-1-autoaux +++ b/src/basis/libraries.bse/aug-pcx-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcx-2 b/src/basis/libraries.bse/aug-pcx-2 index 0bcbb2db8b..89613af758 100644 --- a/src/basis/libraries.bse/aug-pcx-2 +++ b/src/basis/libraries.bse/aug-pcx-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-2 version number 1 # Description: Jensen aug-pcX basis set (containing diffuse functions) optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcx-2-autoaux b/src/basis/libraries.bse/aug-pcx-2-autoaux index 488b78a309..261a109399 100644 --- a/src/basis/libraries.bse/aug-pcx-2-autoaux +++ b/src/basis/libraries.bse/aug-pcx-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcx-3 b/src/basis/libraries.bse/aug-pcx-3 index 0c0c8c3ca3..a35895f048 100644 --- a/src/basis/libraries.bse/aug-pcx-3 +++ b/src/basis/libraries.bse/aug-pcx-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-3 version number 1 # Description: Jensen aug-pcX basis set (containing diffuse functions) optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcx-3-autoaux b/src/basis/libraries.bse/aug-pcx-3-autoaux index 454f437d4d..c9814fdb37 100644 --- a/src/basis/libraries.bse/aug-pcx-3-autoaux +++ b/src/basis/libraries.bse/aug-pcx-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pcx-4 b/src/basis/libraries.bse/aug-pcx-4 index cb021e04bc..8a0fe163b2 100644 --- a/src/basis/libraries.bse/aug-pcx-4 +++ b/src/basis/libraries.bse/aug-pcx-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-4 version number 1 # Description: Jensen aug-pcX basis set (containing diffuse functions) optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/aug-pcx-4-autoaux b/src/basis/libraries.bse/aug-pcx-4-autoaux index 1ad78609aa..29a3f6db05 100644 --- a/src/basis/libraries.bse/aug-pcx-4-autoaux +++ b/src/basis/libraries.bse/aug-pcx-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pcX-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/aug-pv7z b/src/basis/libraries.bse/aug-pv7z index 133da1216f..849ef5725e 100644 --- a/src/basis/libraries.bse/aug-pv7z +++ b/src/basis/libraries.bse/aug-pv7z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pV7Z version number 0 # Description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/aug-pv7z-autoaux b/src/basis/libraries.bse/aug-pv7z-autoaux index f7e9204822..7ec39f44d9 100644 --- a/src/basis/libraries.bse/aug-pv7z-autoaux +++ b/src/basis/libraries.bse/aug-pv7z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # aug-pV7Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_641 b/src/basis/libraries.bse/binning_641 index 3f831dc072..fc3536c49c 100644 --- a/src/basis/libraries.bse/binning_641 +++ b/src/basis/libraries.bse/binning_641 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641 version number 0 # Description: Binning/Curtiss 641 # Role: orbital diff --git a/src/basis/libraries.bse/binning_641+ b/src/basis/libraries.bse/binning_641+ index 9e1634b2ad..b3793fe29f 100644 --- a/src/basis/libraries.bse/binning_641+ +++ b/src/basis/libraries.bse/binning_641+ @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641+ version number 0 # Description: Binning/Curtiss 641 + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/binning_641+-autoaux b/src/basis/libraries.bse/binning_641+-autoaux index f713db699c..ee5d4844e7 100644 --- a/src/basis/libraries.bse/binning_641+-autoaux +++ b/src/basis/libraries.bse/binning_641+-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641+ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_641+d b/src/basis/libraries.bse/binning_641+d index efb866fbfc..2516bab3c5 100644 --- a/src/basis/libraries.bse/binning_641+d +++ b/src/basis/libraries.bse/binning_641+d @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641+(d) version number 0 # Description: Binning/Curtiss 641 + d polarization + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/binning_641+d-autoaux b/src/basis/libraries.bse/binning_641+d-autoaux index 3363be6928..76563ceeac 100644 --- a/src/basis/libraries.bse/binning_641+d-autoaux +++ b/src/basis/libraries.bse/binning_641+d-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641+(d) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_641+df b/src/basis/libraries.bse/binning_641+df index 6b044be95d..8a0f1d5015 100644 --- a/src/basis/libraries.bse/binning_641+df +++ b/src/basis/libraries.bse/binning_641+df @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641+(df) version number 0 # Description: Binning/Curtiss 641 + df polarization + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/binning_641+df-autoaux b/src/basis/libraries.bse/binning_641+df-autoaux index da15e0e4f9..bf0b85122e 100644 --- a/src/basis/libraries.bse/binning_641+df-autoaux +++ b/src/basis/libraries.bse/binning_641+df-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641+(df) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_641-autoaux b/src/basis/libraries.bse/binning_641-autoaux index 0bb7b0e3db..69afe800bd 100644 --- a/src/basis/libraries.bse/binning_641-autoaux +++ b/src/basis/libraries.bse/binning_641-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_641d b/src/basis/libraries.bse/binning_641d index 9811e08c3c..bd2711cda6 100644 --- a/src/basis/libraries.bse/binning_641d +++ b/src/basis/libraries.bse/binning_641d @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641(d) version number 0 # Description: Binning/Curtiss 641 + d polarization # Role: orbital diff --git a/src/basis/libraries.bse/binning_641d-autoaux b/src/basis/libraries.bse/binning_641d-autoaux index c7e5ea7802..ed065ac45a 100644 --- a/src/basis/libraries.bse/binning_641d-autoaux +++ b/src/basis/libraries.bse/binning_641d-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641(d) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_641df b/src/basis/libraries.bse/binning_641df index 5dfc4ca0d8..8ffd39ef77 100644 --- a/src/basis/libraries.bse/binning_641df +++ b/src/basis/libraries.bse/binning_641df @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641(df) version number 0 # Description: Binning/Curtiss 641 + df polarization # Role: orbital diff --git a/src/basis/libraries.bse/binning_641df-autoaux b/src/basis/libraries.bse/binning_641df-autoaux index 9225ea74da..e7b5295808 100644 --- a/src/basis/libraries.bse/binning_641df-autoaux +++ b/src/basis/libraries.bse/binning_641df-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 641(df) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_962 b/src/basis/libraries.bse/binning_962 index d2899bd051..17ef437391 100644 --- a/src/basis/libraries.bse/binning_962 +++ b/src/basis/libraries.bse/binning_962 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962 version number 0 # Description: Binning/Curtiss 962 # Role: orbital diff --git a/src/basis/libraries.bse/binning_962+ b/src/basis/libraries.bse/binning_962+ index bbe2f21345..0d36f9cd8a 100644 --- a/src/basis/libraries.bse/binning_962+ +++ b/src/basis/libraries.bse/binning_962+ @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962+ version number 0 # Description: Binning/Curtiss 962 + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/binning_962+-autoaux b/src/basis/libraries.bse/binning_962+-autoaux index a83b93a1ac..9625475a52 100644 --- a/src/basis/libraries.bse/binning_962+-autoaux +++ b/src/basis/libraries.bse/binning_962+-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962+ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_962+d b/src/basis/libraries.bse/binning_962+d index 7c03ece995..9774f0d101 100644 --- a/src/basis/libraries.bse/binning_962+d +++ b/src/basis/libraries.bse/binning_962+d @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962+(d) version number 0 # Description: Binning/Curtiss 962 + d polarization + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/binning_962+d-autoaux b/src/basis/libraries.bse/binning_962+d-autoaux index f4df6b358a..91ffb368c1 100644 --- a/src/basis/libraries.bse/binning_962+d-autoaux +++ b/src/basis/libraries.bse/binning_962+d-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962+(d) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_962+df b/src/basis/libraries.bse/binning_962+df index b42e3ecd9d..fb0f3b7966 100644 --- a/src/basis/libraries.bse/binning_962+df +++ b/src/basis/libraries.bse/binning_962+df @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962+(df) version number 0 # Description: Binning/Curtiss 962 + df polarization + diffuse # Role: orbital diff --git a/src/basis/libraries.bse/binning_962+df-autoaux b/src/basis/libraries.bse/binning_962+df-autoaux index 0b678df567..7b0f8994b8 100644 --- a/src/basis/libraries.bse/binning_962+df-autoaux +++ b/src/basis/libraries.bse/binning_962+df-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962+(df) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_962-autoaux b/src/basis/libraries.bse/binning_962-autoaux index 91e4e5becc..3b74928e3c 100644 --- a/src/basis/libraries.bse/binning_962-autoaux +++ b/src/basis/libraries.bse/binning_962-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_962d b/src/basis/libraries.bse/binning_962d index 07e86759de..54de3e3a13 100644 --- a/src/basis/libraries.bse/binning_962d +++ b/src/basis/libraries.bse/binning_962d @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962(d) version number 0 # Description: Binning/Curtiss 962 + d polarization # Role: orbital diff --git a/src/basis/libraries.bse/binning_962d-autoaux b/src/basis/libraries.bse/binning_962d-autoaux index 36f5968c5e..0935dd9ab5 100644 --- a/src/basis/libraries.bse/binning_962d-autoaux +++ b/src/basis/libraries.bse/binning_962d-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962(d) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/binning_962df b/src/basis/libraries.bse/binning_962df index 001a265831..71031b170c 100644 --- a/src/basis/libraries.bse/binning_962df +++ b/src/basis/libraries.bse/binning_962df @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962(df) version number 0 # Description: Binning/Curtiss 962 + df polarization # Role: orbital diff --git a/src/basis/libraries.bse/binning_962df-autoaux b/src/basis/libraries.bse/binning_962df-autoaux index 7cb1333f14..f4e202b4b8 100644 --- a/src/basis/libraries.bse/binning_962df-autoaux +++ b/src/basis/libraries.bse/binning_962df-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # binning 962(df) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcv5z b/src/basis/libraries.bse/cc-pcv5z index 584a3c2270..7fa0419424 100644 --- a/src/basis/libraries.bse/cc-pcv5z +++ b/src/basis/libraries.bse/cc-pcv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCV5Z version number 0 # Description: cc-pCV5Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcv5z-autoaux b/src/basis/libraries.bse/cc-pcv5z-autoaux index 63e5e320ab..28ef028166 100644 --- a/src/basis/libraries.bse/cc-pcv5z-autoaux +++ b/src/basis/libraries.bse/cc-pcv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvdz b/src/basis/libraries.bse/cc-pcvdz index bb0af51664..333cf520de 100644 --- a/src/basis/libraries.bse/cc-pcvdz +++ b/src/basis/libraries.bse/cc-pcvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ version number 0 # Description: DZP Double Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvdz-autoaux b/src/basis/libraries.bse/cc-pcvdz-autoaux index 79e68b94e4..12cbdef810 100644 --- a/src/basis/libraries.bse/cc-pcvdz-autoaux +++ b/src/basis/libraries.bse/cc-pcvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvdz-dk b/src/basis/libraries.bse/cc-pcvdz-dk index e450715d09..72d16d0321 100644 --- a/src/basis/libraries.bse/cc-pcvdz-dk +++ b/src/basis/libraries.bse/cc-pcvdz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ-DK version number 0 # Description: VDZP Douglas-Kroll Valence Double Zeta + Polarization + Tight core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvdz-dk-autoaux b/src/basis/libraries.bse/cc-pcvdz-dk-autoaux index 60192aec79..54e23a8f4a 100644 --- a/src/basis/libraries.bse/cc-pcvdz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pcvdz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvdz-f12 b/src/basis/libraries.bse/cc-pcvdz-f12 index cbe77a96fb..c97c8da9ea 100644 --- a/src/basis/libraries.bse/cc-pcvdz-f12 +++ b/src/basis/libraries.bse/cc-pcvdz-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ-F12 version number 0 # Description: cc-pCVDZ-F12 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvdz-f12-autoaux b/src/basis/libraries.bse/cc-pcvdz-f12-autoaux index c5e5866ad4..c487e3bb47 100644 --- a/src/basis/libraries.bse/cc-pcvdz-f12-autoaux +++ b/src/basis/libraries.bse/cc-pcvdz-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ-F12 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvdz-f12-optri b/src/basis/libraries.bse/cc-pcvdz-f12-optri index 9f64ff4dea..adc58490cd 100644 --- a/src/basis/libraries.bse/cc-pcvdz-f12-optri +++ b/src/basis/libraries.bse/cc-pcvdz-f12-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ-F12-OPTRI version number 0 # Description: cc-pCVDZ-F12-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/cc-pcvdz-f12-rifit b/src/basis/libraries.bse/cc-pcvdz-f12-rifit index f1c021afe1..b42a7200bc 100644 --- a/src/basis/libraries.bse/cc-pcvdz-f12-rifit +++ b/src/basis/libraries.bse/cc-pcvdz-f12-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVDZ-F12-RIFIT version number 0 # Description: cc-pCVDZ-F12 RI Fitting # Role: rifit diff --git a/src/basis/libraries.bse/cc-pcvqz b/src/basis/libraries.bse/cc-pcvqz index f9c0c6cf2d..045a808de7 100644 --- a/src/basis/libraries.bse/cc-pcvqz +++ b/src/basis/libraries.bse/cc-pcvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ version number 0 # Description: QZ3P Quadruple Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvqz-autoaux b/src/basis/libraries.bse/cc-pcvqz-autoaux index accc12bc35..b62fca2435 100644 --- a/src/basis/libraries.bse/cc-pcvqz-autoaux +++ b/src/basis/libraries.bse/cc-pcvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvqz-dk b/src/basis/libraries.bse/cc-pcvqz-dk index b80e4ad550..76015d9a67 100644 --- a/src/basis/libraries.bse/cc-pcvqz-dk +++ b/src/basis/libraries.bse/cc-pcvqz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ-DK version number 0 # Description: QZ3PD Douglas-Kroll Valence Double Zeta + Polarization + Tight core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvqz-dk-autoaux b/src/basis/libraries.bse/cc-pcvqz-dk-autoaux index 07ae387789..e93fa25bba 100644 --- a/src/basis/libraries.bse/cc-pcvqz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pcvqz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvqz-f12 b/src/basis/libraries.bse/cc-pcvqz-f12 index 13a43283ba..151def79d9 100644 --- a/src/basis/libraries.bse/cc-pcvqz-f12 +++ b/src/basis/libraries.bse/cc-pcvqz-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ-F12 version number 0 # Description: cc-pCVQZ-F12 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvqz-f12-autoaux b/src/basis/libraries.bse/cc-pcvqz-f12-autoaux index 03291240c8..c986f2b962 100644 --- a/src/basis/libraries.bse/cc-pcvqz-f12-autoaux +++ b/src/basis/libraries.bse/cc-pcvqz-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ-F12 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvqz-f12-optri b/src/basis/libraries.bse/cc-pcvqz-f12-optri index f001058bc2..6207690a49 100644 --- a/src/basis/libraries.bse/cc-pcvqz-f12-optri +++ b/src/basis/libraries.bse/cc-pcvqz-f12-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ-F12-OPTRI version number 0 # Description: cc-pCVQZ-F12-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/cc-pcvqz-f12-rifit b/src/basis/libraries.bse/cc-pcvqz-f12-rifit index 749a21c402..8e32ef3c5b 100644 --- a/src/basis/libraries.bse/cc-pcvqz-f12-rifit +++ b/src/basis/libraries.bse/cc-pcvqz-f12-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVQZ-F12-RIFIT version number 0 # Description: cc-pCVQZ-F12 RI Fitting # Role: rifit diff --git a/src/basis/libraries.bse/cc-pcvtz b/src/basis/libraries.bse/cc-pcvtz index b3732c240c..53e5f72f67 100644 --- a/src/basis/libraries.bse/cc-pcvtz +++ b/src/basis/libraries.bse/cc-pcvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ version number 0 # Description: TZ2P Triple Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvtz-autoaux b/src/basis/libraries.bse/cc-pcvtz-autoaux index 5fdd5b32b1..002623bd73 100644 --- a/src/basis/libraries.bse/cc-pcvtz-autoaux +++ b/src/basis/libraries.bse/cc-pcvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvtz-dk b/src/basis/libraries.bse/cc-pcvtz-dk index b302f8b283..651358f3e7 100644 --- a/src/basis/libraries.bse/cc-pcvtz-dk +++ b/src/basis/libraries.bse/cc-pcvtz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ-DK version number 0 # Description: Triple-Zeta Douglas-Kroll Valence Double Zeta + Polarization + Tight core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvtz-dk-autoaux b/src/basis/libraries.bse/cc-pcvtz-dk-autoaux index 77cb425af2..eb5182c68b 100644 --- a/src/basis/libraries.bse/cc-pcvtz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pcvtz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvtz-f12 b/src/basis/libraries.bse/cc-pcvtz-f12 index 372d9e3e7c..d57306cb91 100644 --- a/src/basis/libraries.bse/cc-pcvtz-f12 +++ b/src/basis/libraries.bse/cc-pcvtz-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ-F12 version number 0 # Description: cc-pCVTZ-F12 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pcvtz-f12-autoaux b/src/basis/libraries.bse/cc-pcvtz-f12-autoaux index 0e950cb0a3..983d0e64ff 100644 --- a/src/basis/libraries.bse/cc-pcvtz-f12-autoaux +++ b/src/basis/libraries.bse/cc-pcvtz-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ-F12 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pcvtz-f12-optri b/src/basis/libraries.bse/cc-pcvtz-f12-optri index 39f7cb832b..cdd3b0a60d 100644 --- a/src/basis/libraries.bse/cc-pcvtz-f12-optri +++ b/src/basis/libraries.bse/cc-pcvtz-f12-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ-F12-OPTRI version number 0 # Description: cc-pCVTZ-F12-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/cc-pcvtz-f12-rifit b/src/basis/libraries.bse/cc-pcvtz-f12-rifit index 30b3777813..c12837b126 100644 --- a/src/basis/libraries.bse/cc-pcvtz-f12-rifit +++ b/src/basis/libraries.bse/cc-pcvtz-f12-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pCVTZ-F12-RIFIT version number 0 # Description: cc-pCVTZ-F12 RI Fitting # Role: rifit diff --git a/src/basis/libraries.bse/cc-pv5+dz b/src/basis/libraries.bse/cc-pv5+dz index e4bcba6416..37211abd50 100644 --- a/src/basis/libraries.bse/cc-pv5+dz +++ b/src/basis/libraries.bse/cc-pv5+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(5+d)Z version number 1 # Description: cc-pV(5+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5+dz-autoaux b/src/basis/libraries.bse/cc-pv5+dz-autoaux index 1087f0729c..4681681db0 100644 --- a/src/basis/libraries.bse/cc-pv5+dz-autoaux +++ b/src/basis/libraries.bse/cc-pv5+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(5+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5z b/src/basis/libraries.bse/cc-pv5z index 0f21e1f6de..3b4ff94003 100644 --- a/src/basis/libraries.bse/cc-pv5z +++ b/src/basis/libraries.bse/cc-pv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z version number 1 # Description: cc-pV5Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5z-autoaux b/src/basis/libraries.bse/cc-pv5z-autoaux index 2123d9cdcf..3d445aee27 100644 --- a/src/basis/libraries.bse/cc-pv5z-autoaux +++ b/src/basis/libraries.bse/cc-pv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5z-dk b/src/basis/libraries.bse/cc-pv5z-dk index e745883197..57a67989a6 100644 --- a/src/basis/libraries.bse/cc-pv5z-dk +++ b/src/basis/libraries.bse/cc-pv5z-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-DK version number 0 # Description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5z-dk-autoaux b/src/basis/libraries.bse/cc-pv5z-dk-autoaux index 7fab162791..c448330733 100644 --- a/src/basis/libraries.bse/cc-pv5z-dk-autoaux +++ b/src/basis/libraries.bse/cc-pv5z-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5z-f12 b/src/basis/libraries.bse/cc-pv5z-f12 index 8cd09a31f2..e4654f8189 100644 --- a/src/basis/libraries.bse/cc-pv5z-f12 +++ b/src/basis/libraries.bse/cc-pv5z-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-F12 version number 1 # Description: cc-pV5Z-F12 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5z-f12-autoaux b/src/basis/libraries.bse/cc-pv5z-f12-autoaux index 9ec9901900..1d6011f2ff 100644 --- a/src/basis/libraries.bse/cc-pv5z-f12-autoaux +++ b/src/basis/libraries.bse/cc-pv5z-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-F12 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5z-f12rev2 b/src/basis/libraries.bse/cc-pv5z-f12rev2 index dbc49c27bf..3712e0534b 100644 --- a/src/basis/libraries.bse/cc-pv5z-f12rev2 +++ b/src/basis/libraries.bse/cc-pv5z-f12rev2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-F12(rev2) version number 1 # Description: cc-pV5Z-F12(rev2) # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5z-f12rev2-autoaux b/src/basis/libraries.bse/cc-pv5z-f12rev2-autoaux index 0956410123..144bc2a4b5 100644 --- a/src/basis/libraries.bse/cc-pv5z-f12rev2-autoaux +++ b/src/basis/libraries.bse/cc-pv5z-f12rev2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-F12(rev2) version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5z-jkfit b/src/basis/libraries.bse/cc-pv5z-jkfit index c8a1950800..338427cfbb 100644 --- a/src/basis/libraries.bse/cc-pv5z-jkfit +++ b/src/basis/libraries.bse/cc-pv5z-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-JKFIT version number 1 # Description: JK Fitting basis for use with cc-pV5Z # Role: jkfit diff --git a/src/basis/libraries.bse/cc-pv5z-pp b/src/basis/libraries.bse/cc-pv5z-pp index 6a42aecf0d..7ccc94f4b8 100644 --- a/src/basis/libraries.bse/cc-pv5z-pp +++ b/src/basis/libraries.bse/cc-pv5z-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-PP version number 0 # Description: cc-pV5Z-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5z-pp-autoaux b/src/basis/libraries.bse/cc-pv5z-pp-autoaux index d12d581f00..cf90e7e177 100644 --- a/src/basis/libraries.bse/cc-pv5z-pp-autoaux +++ b/src/basis/libraries.bse/cc-pv5z-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5z-pp-rifit b/src/basis/libraries.bse/cc-pv5z-pp-rifit index cc85d86d4e..9fd56725c3 100644 --- a/src/basis/libraries.bse/cc-pv5z-pp-rifit +++ b/src/basis/libraries.bse/cc-pv5z-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-PP-RIFIT version number 0 # Description: cc-pV5Z-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pv5z-rifit b/src/basis/libraries.bse/cc-pv5z-rifit index e3f2dbbb22..758898083d 100644 --- a/src/basis/libraries.bse/cc-pv5z-rifit +++ b/src/basis/libraries.bse/cc-pv5z-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pV5Z # Role: rifit diff --git a/src/basis/libraries.bse/cc-pv5zfi_sf_fw b/src/basis/libraries.bse/cc-pv5zfi_sf_fw index a718ab5abf..f422c15d1e 100644 --- a/src/basis/libraries.bse/cc-pv5zfi_sf_fw +++ b/src/basis/libraries.bse/cc-pv5zfi_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(fi/sf/fw) version number 0 # Description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5zfi_sf_fw-autoaux b/src/basis/libraries.bse/cc-pv5zfi_sf_fw-autoaux index 6316dc60c0..7e61878316 100644 --- a/src/basis/libraries.bse/cc-pv5zfi_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pv5zfi_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(fi/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5zfi_sf_lc b/src/basis/libraries.bse/cc-pv5zfi_sf_lc index cdad2d6c03..5f0341f2fd 100644 --- a/src/basis/libraries.bse/cc-pv5zfi_sf_lc +++ b/src/basis/libraries.bse/cc-pv5zfi_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(fi/sf/lc) version number 0 # Description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5zfi_sf_lc-autoaux b/src/basis/libraries.bse/cc-pv5zfi_sf_lc-autoaux index cd71d16064..9186b66d78 100644 --- a/src/basis/libraries.bse/cc-pv5zfi_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pv5zfi_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(fi/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5zfi_sf_sc b/src/basis/libraries.bse/cc-pv5zfi_sf_sc index 7d4b2e559d..1ab0438893 100644 --- a/src/basis/libraries.bse/cc-pv5zfi_sf_sc +++ b/src/basis/libraries.bse/cc-pv5zfi_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(fi/sf/sc) version number 0 # Description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5zfi_sf_sc-autoaux b/src/basis/libraries.bse/cc-pv5zfi_sf_sc-autoaux index b813cfdeef..be882c94a5 100644 --- a/src/basis/libraries.bse/cc-pv5zfi_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pv5zfi_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(fi/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5zpt_sf_fw b/src/basis/libraries.bse/cc-pv5zpt_sf_fw index 92c263d133..9f1a4743e7 100644 --- a/src/basis/libraries.bse/cc-pv5zpt_sf_fw +++ b/src/basis/libraries.bse/cc-pv5zpt_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(pt/sf/fw) version number 0 # Description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5zpt_sf_fw-autoaux b/src/basis/libraries.bse/cc-pv5zpt_sf_fw-autoaux index 8b4fd671ef..8ac14a7c1a 100644 --- a/src/basis/libraries.bse/cc-pv5zpt_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pv5zpt_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(pt/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5zpt_sf_lc b/src/basis/libraries.bse/cc-pv5zpt_sf_lc index bf1eacaa88..2eb8c92f27 100644 --- a/src/basis/libraries.bse/cc-pv5zpt_sf_lc +++ b/src/basis/libraries.bse/cc-pv5zpt_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(pt/sf/lc) version number 0 # Description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5zpt_sf_lc-autoaux b/src/basis/libraries.bse/cc-pv5zpt_sf_lc-autoaux index 22dfd0b4d2..624a36b5d5 100644 --- a/src/basis/libraries.bse/cc-pv5zpt_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pv5zpt_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(pt/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv5zpt_sf_sc b/src/basis/libraries.bse/cc-pv5zpt_sf_sc index 68c3549c5d..149b2a0e1c 100644 --- a/src/basis/libraries.bse/cc-pv5zpt_sf_sc +++ b/src/basis/libraries.bse/cc-pv5zpt_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(pt/sf/sc) version number 0 # Description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv5zpt_sf_sc-autoaux b/src/basis/libraries.bse/cc-pv5zpt_sf_sc-autoaux index 6803d72975..91ee28c889 100644 --- a/src/basis/libraries.bse/cc-pv5zpt_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pv5zpt_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV5Z(pt/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv6z b/src/basis/libraries.bse/cc-pv6z index 35f607823c..c2570cdb44 100644 --- a/src/basis/libraries.bse/cc-pv6z +++ b/src/basis/libraries.bse/cc-pv6z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV6Z version number 1 # Description: cc-pV6Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv6z-autoaux b/src/basis/libraries.bse/cc-pv6z-autoaux index 478bbd5bd2..af2acf1e7f 100644 --- a/src/basis/libraries.bse/cc-pv6z-autoaux +++ b/src/basis/libraries.bse/cc-pv6z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV6Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv6z-rifit b/src/basis/libraries.bse/cc-pv6z-rifit index c14709eae5..2501bf5695 100644 --- a/src/basis/libraries.bse/cc-pv6z-rifit +++ b/src/basis/libraries.bse/cc-pv6z-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV6Z-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pV6Z # Role: rifit diff --git a/src/basis/libraries.bse/cc-pv8z b/src/basis/libraries.bse/cc-pv8z index fa827b9c9e..a3b24695f1 100644 --- a/src/basis/libraries.bse/cc-pv8z +++ b/src/basis/libraries.bse/cc-pv8z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV8Z version number 0 # Description: cc-pV8Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv8z-autoaux b/src/basis/libraries.bse/cc-pv8z-autoaux index fdf0c4a121..cb58a799ee 100644 --- a/src/basis/libraries.bse/cc-pv8z-autoaux +++ b/src/basis/libraries.bse/cc-pv8z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV8Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pv9z b/src/basis/libraries.bse/cc-pv9z index d45723f098..4db356b107 100644 --- a/src/basis/libraries.bse/cc-pv9z +++ b/src/basis/libraries.bse/cc-pv9z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV9Z version number 0 # Description: V7Z6P Valence Octuple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/cc-pv9z-autoaux b/src/basis/libraries.bse/cc-pv9z-autoaux index 437baa4272..6a3d88b8ea 100644 --- a/src/basis/libraries.bse/cc-pv9z-autoaux +++ b/src/basis/libraries.bse/cc-pv9z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV9Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvd+dz b/src/basis/libraries.bse/cc-pvd+dz index 0e5695a446..8be521fe3a 100644 --- a/src/basis/libraries.bse/cc-pvd+dz +++ b/src/basis/libraries.bse/cc-pvd+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(D+d)Z version number 1 # Description: cc-pV(D+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvd+dz-autoaux b/src/basis/libraries.bse/cc-pvd+dz-autoaux index 335033aff9..d7aba8cf04 100644 --- a/src/basis/libraries.bse/cc-pvd+dz-autoaux +++ b/src/basis/libraries.bse/cc-pvd+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(D+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz b/src/basis/libraries.bse/cc-pvdz index 307c9a89db..e1f1471ea4 100644 --- a/src/basis/libraries.bse/cc-pvdz +++ b/src/basis/libraries.bse/cc-pvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ version number 1 # Description: cc-pVDZ # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-autoaux b/src/basis/libraries.bse/cc-pvdz-autoaux index e6d564bcc0..738487eb24 100644 --- a/src/basis/libraries.bse/cc-pvdz-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz-dk b/src/basis/libraries.bse/cc-pvdz-dk index 9b1007bcfe..1512c12d70 100644 --- a/src/basis/libraries.bse/cc-pvdz-dk +++ b/src/basis/libraries.bse/cc-pvdz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-DK version number 0 # Description: VDZP Douglas-Kroll Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-dk-autoaux b/src/basis/libraries.bse/cc-pvdz-dk-autoaux index fc069c6ba0..a8b4fb9669 100644 --- a/src/basis/libraries.bse/cc-pvdz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz-dk3 b/src/basis/libraries.bse/cc-pvdz-dk3 index 0799e3809f..37d5a1dcea 100644 --- a/src/basis/libraries.bse/cc-pvdz-dk3 +++ b/src/basis/libraries.bse/cc-pvdz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-DK3 version number 1 # Description: cc-pVDZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-dk3-autoaux b/src/basis/libraries.bse/cc-pvdz-dk3-autoaux index 7553827f85..8caa6d4ba4 100644 --- a/src/basis/libraries.bse/cc-pvdz-dk3-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz-f12 b/src/basis/libraries.bse/cc-pvdz-f12 index a0906a1dd2..dda7202179 100644 --- a/src/basis/libraries.bse/cc-pvdz-f12 +++ b/src/basis/libraries.bse/cc-pvdz-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-F12 version number 0 # Description: VDZ for explicitly correlated F12 variants of wavefunction methods # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-f12-autoaux b/src/basis/libraries.bse/cc-pvdz-f12-autoaux index fba81b9187..65ac2039f0 100644 --- a/src/basis/libraries.bse/cc-pvdz-f12-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-F12 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz-f12-optri b/src/basis/libraries.bse/cc-pvdz-f12-optri index 59b4363e58..3f61565883 100644 --- a/src/basis/libraries.bse/cc-pvdz-f12-optri +++ b/src/basis/libraries.bse/cc-pvdz-f12-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-F12-OPTRI version number 0 # Description: cc-pVDZ-F12-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/cc-pvdz-f12rev2 b/src/basis/libraries.bse/cc-pvdz-f12rev2 index 9fd88edf87..6e10f3c36a 100644 --- a/src/basis/libraries.bse/cc-pvdz-f12rev2 +++ b/src/basis/libraries.bse/cc-pvdz-f12rev2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-F12(rev2) version number 1 # Description: cc-pVDZ-F12(rev2) # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-f12rev2-autoaux b/src/basis/libraries.bse/cc-pvdz-f12rev2-autoaux index e5cdcdd377..67586d3d56 100644 --- a/src/basis/libraries.bse/cc-pvdz-f12rev2-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-f12rev2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-F12(rev2) version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz-pp b/src/basis/libraries.bse/cc-pvdz-pp index ae44b91dee..5512d81988 100644 --- a/src/basis/libraries.bse/cc-pvdz-pp +++ b/src/basis/libraries.bse/cc-pvdz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-PP version number 0 # Description: cc-pVDZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-pp-autoaux b/src/basis/libraries.bse/cc-pvdz-pp-autoaux index a1c399ac41..dac9d00e93 100644 --- a/src/basis/libraries.bse/cc-pvdz-pp-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdz-pp-rifit b/src/basis/libraries.bse/cc-pvdz-pp-rifit index d13d46c6fa..54b47a7c59 100644 --- a/src/basis/libraries.bse/cc-pvdz-pp-rifit +++ b/src/basis/libraries.bse/cc-pvdz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-PP-RIFIT version number 0 # Description: cc-pVDZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pvdz-rifit b/src/basis/libraries.bse/cc-pvdz-rifit index bb2d7c56c5..29ed8f7057 100644 --- a/src/basis/libraries.bse/cc-pvdz-rifit +++ b/src/basis/libraries.bse/cc-pvdz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pVDZ # Role: rifit diff --git a/src/basis/libraries.bse/cc-pvdz-x2c b/src/basis/libraries.bse/cc-pvdz-x2c index 4156536bf0..4d5bb0914d 100644 --- a/src/basis/libraries.bse/cc-pvdz-x2c +++ b/src/basis/libraries.bse/cc-pvdz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-X2C version number 1 # Description: cc-pVDZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdz-x2c-autoaux b/src/basis/libraries.bse/cc-pvdz-x2c-autoaux index 8b2cc13cbb..159548ddf7 100644 --- a/src/basis/libraries.bse/cc-pvdz-x2c-autoaux +++ b/src/basis/libraries.bse/cc-pvdz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzfi_sf_fw b/src/basis/libraries.bse/cc-pvdzfi_sf_fw index 8d2d35a148..48df7adfcd 100644 --- a/src/basis/libraries.bse/cc-pvdzfi_sf_fw +++ b/src/basis/libraries.bse/cc-pvdzfi_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(fi/sf/fw) version number 0 # Description: VDZP Relativistic Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzfi_sf_fw-autoaux b/src/basis/libraries.bse/cc-pvdzfi_sf_fw-autoaux index 861e8a9767..6d44ac53c6 100644 --- a/src/basis/libraries.bse/cc-pvdzfi_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pvdzfi_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(fi/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzfi_sf_lc b/src/basis/libraries.bse/cc-pvdzfi_sf_lc index 371aba4f4f..d8416701ed 100644 --- a/src/basis/libraries.bse/cc-pvdzfi_sf_lc +++ b/src/basis/libraries.bse/cc-pvdzfi_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(fi/sf/lc) version number 0 # Description: VDZP Relativistic Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzfi_sf_lc-autoaux b/src/basis/libraries.bse/cc-pvdzfi_sf_lc-autoaux index ded93fedfd..99025f0443 100644 --- a/src/basis/libraries.bse/cc-pvdzfi_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pvdzfi_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(fi/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzfi_sf_sc b/src/basis/libraries.bse/cc-pvdzfi_sf_sc index 7bd69ae00e..afd4610628 100644 --- a/src/basis/libraries.bse/cc-pvdzfi_sf_sc +++ b/src/basis/libraries.bse/cc-pvdzfi_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(fi/sf/sc) version number 0 # Description: VDZP Relativistic Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzfi_sf_sc-autoaux b/src/basis/libraries.bse/cc-pvdzfi_sf_sc-autoaux index beef04d5aa..2fd75747e1 100644 --- a/src/basis/libraries.bse/cc-pvdzfi_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pvdzfi_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(fi/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzpt_sf_fw b/src/basis/libraries.bse/cc-pvdzpt_sf_fw index 6700a66492..56dc5fe422 100644 --- a/src/basis/libraries.bse/cc-pvdzpt_sf_fw +++ b/src/basis/libraries.bse/cc-pvdzpt_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(pt/sf/fw) version number 0 # Description: VDZP Relativistic Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzpt_sf_fw-autoaux b/src/basis/libraries.bse/cc-pvdzpt_sf_fw-autoaux index 089049d42e..330a4eb80f 100644 --- a/src/basis/libraries.bse/cc-pvdzpt_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pvdzpt_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(pt/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzpt_sf_lc b/src/basis/libraries.bse/cc-pvdzpt_sf_lc index a484dd1d5f..4df435e882 100644 --- a/src/basis/libraries.bse/cc-pvdzpt_sf_lc +++ b/src/basis/libraries.bse/cc-pvdzpt_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(pt/sf/lc) version number 0 # Description: VDZP Relativistic Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzpt_sf_lc-autoaux b/src/basis/libraries.bse/cc-pvdzpt_sf_lc-autoaux index adc1872318..77dcb4128d 100644 --- a/src/basis/libraries.bse/cc-pvdzpt_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pvdzpt_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(pt/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzpt_sf_sc b/src/basis/libraries.bse/cc-pvdzpt_sf_sc index 9327602c92..080562ea5f 100644 --- a/src/basis/libraries.bse/cc-pvdzpt_sf_sc +++ b/src/basis/libraries.bse/cc-pvdzpt_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(pt/sf/sc) version number 0 # Description: VDZP Relativistic Valence Double Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzpt_sf_sc-autoaux b/src/basis/libraries.bse/cc-pvdzpt_sf_sc-autoaux index db6ef14851..61069c840f 100644 --- a/src/basis/libraries.bse/cc-pvdzpt_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pvdzpt_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(pt/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvdzseg-opt b/src/basis/libraries.bse/cc-pvdzseg-opt index 163a964fe4..718ae23d16 100644 --- a/src/basis/libraries.bse/cc-pvdzseg-opt +++ b/src/basis/libraries.bse/cc-pvdzseg-opt @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(seg-opt) version number 0 # Description: VDZP Valence Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvdzseg-opt-autoaux b/src/basis/libraries.bse/cc-pvdzseg-opt-autoaux index 1efc2d3484..d14519c4a1 100644 --- a/src/basis/libraries.bse/cc-pvdzseg-opt-autoaux +++ b/src/basis/libraries.bse/cc-pvdzseg-opt-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVDZ(seg-opt) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvq+dz b/src/basis/libraries.bse/cc-pvq+dz index bef2fabc89..7532473893 100644 --- a/src/basis/libraries.bse/cc-pvq+dz +++ b/src/basis/libraries.bse/cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(Q+d)Z version number 1 # Description: cc-pV(Q+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvq+dz-autoaux b/src/basis/libraries.bse/cc-pvq+dz-autoaux index c194d19ac0..da7e71bad0 100644 --- a/src/basis/libraries.bse/cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(Q+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz b/src/basis/libraries.bse/cc-pvqz index c022ffbb08..6a0d5571d0 100644 --- a/src/basis/libraries.bse/cc-pvqz +++ b/src/basis/libraries.bse/cc-pvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ version number 1 # Description: cc-pVQZ # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-autoaux b/src/basis/libraries.bse/cc-pvqz-autoaux index 9712b7e966..e256b6c086 100644 --- a/src/basis/libraries.bse/cc-pvqz-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz-dk b/src/basis/libraries.bse/cc-pvqz-dk index 46b29dfcf1..6b7ff04539 100644 --- a/src/basis/libraries.bse/cc-pvqz-dk +++ b/src/basis/libraries.bse/cc-pvqz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-DK version number 0 # Description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-dk-autoaux b/src/basis/libraries.bse/cc-pvqz-dk-autoaux index d525694922..b9b0e7c2a6 100644 --- a/src/basis/libraries.bse/cc-pvqz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz-dk3 b/src/basis/libraries.bse/cc-pvqz-dk3 index 015ad004ba..22ffbf8d5d 100644 --- a/src/basis/libraries.bse/cc-pvqz-dk3 +++ b/src/basis/libraries.bse/cc-pvqz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-DK3 version number 1 # Description: cc-pVQZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-dk3-autoaux b/src/basis/libraries.bse/cc-pvqz-dk3-autoaux index 8d0fdc60af..55580fd370 100644 --- a/src/basis/libraries.bse/cc-pvqz-dk3-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz-f12 b/src/basis/libraries.bse/cc-pvqz-f12 index 90bd3ff10b..02e0006c64 100644 --- a/src/basis/libraries.bse/cc-pvqz-f12 +++ b/src/basis/libraries.bse/cc-pvqz-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-F12 version number 0 # Description: VQZ for explicitly correlated F12 variants of wavefunction methods # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-f12-autoaux b/src/basis/libraries.bse/cc-pvqz-f12-autoaux index e5c3b2d575..bf3057afe6 100644 --- a/src/basis/libraries.bse/cc-pvqz-f12-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-F12 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz-f12-optri b/src/basis/libraries.bse/cc-pvqz-f12-optri index 2a636aae1e..9d51813777 100644 --- a/src/basis/libraries.bse/cc-pvqz-f12-optri +++ b/src/basis/libraries.bse/cc-pvqz-f12-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-F12-OPTRI version number 0 # Description: cc-pVQZ-F12-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/cc-pvqz-f12rev2 b/src/basis/libraries.bse/cc-pvqz-f12rev2 index e1131bc091..4823c02267 100644 --- a/src/basis/libraries.bse/cc-pvqz-f12rev2 +++ b/src/basis/libraries.bse/cc-pvqz-f12rev2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-F12(rev2) version number 1 # Description: cc-pVQZ-F12(rev2) # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-f12rev2-autoaux b/src/basis/libraries.bse/cc-pvqz-f12rev2-autoaux index a6019d4c63..72877a8e5b 100644 --- a/src/basis/libraries.bse/cc-pvqz-f12rev2-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-f12rev2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-F12(rev2) version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz-jkfit b/src/basis/libraries.bse/cc-pvqz-jkfit index 88c124e60d..fce3517cf4 100644 --- a/src/basis/libraries.bse/cc-pvqz-jkfit +++ b/src/basis/libraries.bse/cc-pvqz-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-JKFIT version number 1 # Description: JK Fitting basis for use with cc-pVQZ # Role: jkfit diff --git a/src/basis/libraries.bse/cc-pvqz-pp b/src/basis/libraries.bse/cc-pvqz-pp index 707424e6c5..37b5723fc1 100644 --- a/src/basis/libraries.bse/cc-pvqz-pp +++ b/src/basis/libraries.bse/cc-pvqz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-PP version number 0 # Description: cc-pVQZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-pp-autoaux b/src/basis/libraries.bse/cc-pvqz-pp-autoaux index 666d88e7ad..30c3b0a24e 100644 --- a/src/basis/libraries.bse/cc-pvqz-pp-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqz-pp-rifit b/src/basis/libraries.bse/cc-pvqz-pp-rifit index 9d454a8316..fe8debedbb 100644 --- a/src/basis/libraries.bse/cc-pvqz-pp-rifit +++ b/src/basis/libraries.bse/cc-pvqz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-PP-RIFIT version number 0 # Description: cc-pVQZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pvqz-rifit b/src/basis/libraries.bse/cc-pvqz-rifit index 927a148233..34b1546505 100644 --- a/src/basis/libraries.bse/cc-pvqz-rifit +++ b/src/basis/libraries.bse/cc-pvqz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pVQZ # Role: rifit diff --git a/src/basis/libraries.bse/cc-pvqz-x2c b/src/basis/libraries.bse/cc-pvqz-x2c index 4de3ca2504..b38cc6e3eb 100644 --- a/src/basis/libraries.bse/cc-pvqz-x2c +++ b/src/basis/libraries.bse/cc-pvqz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-X2C version number 1 # Description: cc-pVQZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqz-x2c-autoaux b/src/basis/libraries.bse/cc-pvqz-x2c-autoaux index 7d72ca5a12..1c82bb26b5 100644 --- a/src/basis/libraries.bse/cc-pvqz-x2c-autoaux +++ b/src/basis/libraries.bse/cc-pvqz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzfi_sf_fw b/src/basis/libraries.bse/cc-pvqzfi_sf_fw index f0c0bdfbab..bb972153bb 100644 --- a/src/basis/libraries.bse/cc-pvqzfi_sf_fw +++ b/src/basis/libraries.bse/cc-pvqzfi_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(fi/sf/fw) version number 0 # Description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzfi_sf_fw-autoaux b/src/basis/libraries.bse/cc-pvqzfi_sf_fw-autoaux index b6217c5c05..27f35ff5db 100644 --- a/src/basis/libraries.bse/cc-pvqzfi_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pvqzfi_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(fi/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzfi_sf_lc b/src/basis/libraries.bse/cc-pvqzfi_sf_lc index b451b07c0b..3d93d11daf 100644 --- a/src/basis/libraries.bse/cc-pvqzfi_sf_lc +++ b/src/basis/libraries.bse/cc-pvqzfi_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(fi/sf/lc) version number 0 # Description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzfi_sf_lc-autoaux b/src/basis/libraries.bse/cc-pvqzfi_sf_lc-autoaux index e57d388cca..92c124eb39 100644 --- a/src/basis/libraries.bse/cc-pvqzfi_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pvqzfi_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(fi/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzfi_sf_sc b/src/basis/libraries.bse/cc-pvqzfi_sf_sc index 876e116727..4c0395be8b 100644 --- a/src/basis/libraries.bse/cc-pvqzfi_sf_sc +++ b/src/basis/libraries.bse/cc-pvqzfi_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(fi/sf/sc) version number 0 # Description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzfi_sf_sc-autoaux b/src/basis/libraries.bse/cc-pvqzfi_sf_sc-autoaux index d76005d447..88ee6a7a88 100644 --- a/src/basis/libraries.bse/cc-pvqzfi_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pvqzfi_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(fi/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzpt_sf_fw b/src/basis/libraries.bse/cc-pvqzpt_sf_fw index d672d035c4..8d48f484b0 100644 --- a/src/basis/libraries.bse/cc-pvqzpt_sf_fw +++ b/src/basis/libraries.bse/cc-pvqzpt_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(pt/sf/fw) version number 0 # Description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzpt_sf_fw-autoaux b/src/basis/libraries.bse/cc-pvqzpt_sf_fw-autoaux index 8ba1e16269..2e8da40887 100644 --- a/src/basis/libraries.bse/cc-pvqzpt_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pvqzpt_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(pt/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzpt_sf_lc b/src/basis/libraries.bse/cc-pvqzpt_sf_lc index 6810981beb..397459f9a6 100644 --- a/src/basis/libraries.bse/cc-pvqzpt_sf_lc +++ b/src/basis/libraries.bse/cc-pvqzpt_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(pt/sf/lc) version number 0 # Description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzpt_sf_lc-autoaux b/src/basis/libraries.bse/cc-pvqzpt_sf_lc-autoaux index 4c7eb43911..044642a398 100644 --- a/src/basis/libraries.bse/cc-pvqzpt_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pvqzpt_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(pt/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzpt_sf_sc b/src/basis/libraries.bse/cc-pvqzpt_sf_sc index 2e79be1d2c..9521b233cb 100644 --- a/src/basis/libraries.bse/cc-pvqzpt_sf_sc +++ b/src/basis/libraries.bse/cc-pvqzpt_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(pt/sf/sc) version number 0 # Description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzpt_sf_sc-autoaux b/src/basis/libraries.bse/cc-pvqzpt_sf_sc-autoaux index b8ca456c5a..49780b06e7 100644 --- a/src/basis/libraries.bse/cc-pvqzpt_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pvqzpt_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(pt/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvqzseg-opt b/src/basis/libraries.bse/cc-pvqzseg-opt index 68034ca172..ead3c4bcf9 100644 --- a/src/basis/libraries.bse/cc-pvqzseg-opt +++ b/src/basis/libraries.bse/cc-pvqzseg-opt @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(seg-opt) version number 0 # Description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvqzseg-opt-autoaux b/src/basis/libraries.bse/cc-pvqzseg-opt-autoaux index 661a16c51f..f4e8e1b2cb 100644 --- a/src/basis/libraries.bse/cc-pvqzseg-opt-autoaux +++ b/src/basis/libraries.bse/cc-pvqzseg-opt-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVQZ(seg-opt) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvt+dz b/src/basis/libraries.bse/cc-pvt+dz index f4bea7225f..a2cf9c5843 100644 --- a/src/basis/libraries.bse/cc-pvt+dz +++ b/src/basis/libraries.bse/cc-pvt+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(T+d)Z version number 1 # Description: cc-pV(T+d)Z # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvt+dz-autoaux b/src/basis/libraries.bse/cc-pvt+dz-autoaux index 79f5bd7b57..115e2bcef2 100644 --- a/src/basis/libraries.bse/cc-pvt+dz-autoaux +++ b/src/basis/libraries.bse/cc-pvt+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pV(T+d)Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz b/src/basis/libraries.bse/cc-pvtz index 563c0ec31d..fe8dcc1dde 100644 --- a/src/basis/libraries.bse/cc-pvtz +++ b/src/basis/libraries.bse/cc-pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ version number 1 # Description: cc-pVTZ # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-autoaux b/src/basis/libraries.bse/cc-pvtz-autoaux index 3e1b949736..922414b80d 100644 --- a/src/basis/libraries.bse/cc-pvtz-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz-dk b/src/basis/libraries.bse/cc-pvtz-dk index 991da6239a..9ba07453a0 100644 --- a/src/basis/libraries.bse/cc-pvtz-dk +++ b/src/basis/libraries.bse/cc-pvtz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-DK version number 0 # Description: VTZ2P Douglas-Kroll Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-dk-autoaux b/src/basis/libraries.bse/cc-pvtz-dk-autoaux index dfeb863597..7ef47a9f0a 100644 --- a/src/basis/libraries.bse/cc-pvtz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz-dk3 b/src/basis/libraries.bse/cc-pvtz-dk3 index e3dfb9356d..c9eafdfb2b 100644 --- a/src/basis/libraries.bse/cc-pvtz-dk3 +++ b/src/basis/libraries.bse/cc-pvtz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-DK3 version number 1 # Description: cc-pVTZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-dk3-autoaux b/src/basis/libraries.bse/cc-pvtz-dk3-autoaux index 815e2eaf4b..98b74fee6b 100644 --- a/src/basis/libraries.bse/cc-pvtz-dk3-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz-f12 b/src/basis/libraries.bse/cc-pvtz-f12 index a1208ed0e1..87092bbd91 100644 --- a/src/basis/libraries.bse/cc-pvtz-f12 +++ b/src/basis/libraries.bse/cc-pvtz-f12 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-F12 version number 0 # Description: VTZ for explicitly correlated F12 variants of wavefunction methods # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-f12-autoaux b/src/basis/libraries.bse/cc-pvtz-f12-autoaux index f785a7dba0..c1cbbf57b4 100644 --- a/src/basis/libraries.bse/cc-pvtz-f12-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-f12-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-F12 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz-f12-optri b/src/basis/libraries.bse/cc-pvtz-f12-optri index cb25a40e40..a1dedf6f07 100644 --- a/src/basis/libraries.bse/cc-pvtz-f12-optri +++ b/src/basis/libraries.bse/cc-pvtz-f12-optri @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-F12-OPTRI version number 0 # Description: cc-pVTZ-F12-OPTRI # Role: optri diff --git a/src/basis/libraries.bse/cc-pvtz-f12rev2 b/src/basis/libraries.bse/cc-pvtz-f12rev2 index 09e5ed2530..d80796f0c6 100644 --- a/src/basis/libraries.bse/cc-pvtz-f12rev2 +++ b/src/basis/libraries.bse/cc-pvtz-f12rev2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-F12(rev2) version number 1 # Description: cc-pVTZ-F12(rev2) # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-f12rev2-autoaux b/src/basis/libraries.bse/cc-pvtz-f12rev2-autoaux index f3602caa59..405dc9c0a8 100644 --- a/src/basis/libraries.bse/cc-pvtz-f12rev2-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-f12rev2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-F12(rev2) version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz-jkfit b/src/basis/libraries.bse/cc-pvtz-jkfit index 3f763bd26d..36428ea8a0 100644 --- a/src/basis/libraries.bse/cc-pvtz-jkfit +++ b/src/basis/libraries.bse/cc-pvtz-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-JKFIT version number 1 # Description: JK Fitting basis for use with cc-pVTZ # Role: jkfit diff --git a/src/basis/libraries.bse/cc-pvtz-pp b/src/basis/libraries.bse/cc-pvtz-pp index d7d0701d0d..655059fbdb 100644 --- a/src/basis/libraries.bse/cc-pvtz-pp +++ b/src/basis/libraries.bse/cc-pvtz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-PP version number 0 # Description: cc-pVTZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-pp-autoaux b/src/basis/libraries.bse/cc-pvtz-pp-autoaux index 06f3203fc2..36020dd1cd 100644 --- a/src/basis/libraries.bse/cc-pvtz-pp-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtz-pp-rifit b/src/basis/libraries.bse/cc-pvtz-pp-rifit index e97674c330..8e119a2a1d 100644 --- a/src/basis/libraries.bse/cc-pvtz-pp-rifit +++ b/src/basis/libraries.bse/cc-pvtz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-PP-RIFIT version number 0 # Description: cc-pVTZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pvtz-rifit b/src/basis/libraries.bse/cc-pvtz-rifit index 1acc29e4c4..7baa39bccb 100644 --- a/src/basis/libraries.bse/cc-pvtz-rifit +++ b/src/basis/libraries.bse/cc-pvtz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pVTZ # Role: rifit diff --git a/src/basis/libraries.bse/cc-pvtz-x2c b/src/basis/libraries.bse/cc-pvtz-x2c index c945f98fb8..822fc8e869 100644 --- a/src/basis/libraries.bse/cc-pvtz-x2c +++ b/src/basis/libraries.bse/cc-pvtz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-X2C version number 1 # Description: cc-pVTZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtz-x2c-autoaux b/src/basis/libraries.bse/cc-pvtz-x2c-autoaux index 385c0b1d95..4635e24f5f 100644 --- a/src/basis/libraries.bse/cc-pvtz-x2c-autoaux +++ b/src/basis/libraries.bse/cc-pvtz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzfi_sf_fw b/src/basis/libraries.bse/cc-pvtzfi_sf_fw index f85078359b..2a49c4510b 100644 --- a/src/basis/libraries.bse/cc-pvtzfi_sf_fw +++ b/src/basis/libraries.bse/cc-pvtzfi_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(fi/sf/fw) version number 0 # Description: VTZ2P Relativistic Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzfi_sf_fw-autoaux b/src/basis/libraries.bse/cc-pvtzfi_sf_fw-autoaux index 8242c28165..5673b468c0 100644 --- a/src/basis/libraries.bse/cc-pvtzfi_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pvtzfi_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(fi/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzfi_sf_lc b/src/basis/libraries.bse/cc-pvtzfi_sf_lc index b48bad551d..1bd315a604 100644 --- a/src/basis/libraries.bse/cc-pvtzfi_sf_lc +++ b/src/basis/libraries.bse/cc-pvtzfi_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(fi/sf/lc) version number 0 # Description: VTZ2P Relativistic Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzfi_sf_lc-autoaux b/src/basis/libraries.bse/cc-pvtzfi_sf_lc-autoaux index 166d9f1c52..e3eee7c7a2 100644 --- a/src/basis/libraries.bse/cc-pvtzfi_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pvtzfi_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(fi/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzfi_sf_sc b/src/basis/libraries.bse/cc-pvtzfi_sf_sc index 067b9a55e3..dbecc19c3e 100644 --- a/src/basis/libraries.bse/cc-pvtzfi_sf_sc +++ b/src/basis/libraries.bse/cc-pvtzfi_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(fi/sf/sc) version number 0 # Description: VTZ2P Relativistic Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzfi_sf_sc-autoaux b/src/basis/libraries.bse/cc-pvtzfi_sf_sc-autoaux index 2b8cafc92a..9ff744179d 100644 --- a/src/basis/libraries.bse/cc-pvtzfi_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pvtzfi_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(fi/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzpt_sf_fw b/src/basis/libraries.bse/cc-pvtzpt_sf_fw index 9a9af9de91..f71589c62e 100644 --- a/src/basis/libraries.bse/cc-pvtzpt_sf_fw +++ b/src/basis/libraries.bse/cc-pvtzpt_sf_fw @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(pt/sf/fw) version number 0 # Description: VTZ2P Relativistic Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzpt_sf_fw-autoaux b/src/basis/libraries.bse/cc-pvtzpt_sf_fw-autoaux index 18aa8e2d2b..71d3b8e7db 100644 --- a/src/basis/libraries.bse/cc-pvtzpt_sf_fw-autoaux +++ b/src/basis/libraries.bse/cc-pvtzpt_sf_fw-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(pt/sf/fw) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzpt_sf_lc b/src/basis/libraries.bse/cc-pvtzpt_sf_lc index 862f05a148..26863729de 100644 --- a/src/basis/libraries.bse/cc-pvtzpt_sf_lc +++ b/src/basis/libraries.bse/cc-pvtzpt_sf_lc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(pt/sf/lc) version number 0 # Description: VTZ2P Relativistic Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzpt_sf_lc-autoaux b/src/basis/libraries.bse/cc-pvtzpt_sf_lc-autoaux index fa4566d671..1d18619a29 100644 --- a/src/basis/libraries.bse/cc-pvtzpt_sf_lc-autoaux +++ b/src/basis/libraries.bse/cc-pvtzpt_sf_lc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(pt/sf/lc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzpt_sf_sc b/src/basis/libraries.bse/cc-pvtzpt_sf_sc index 9d40b6101d..cdd1d331f5 100644 --- a/src/basis/libraries.bse/cc-pvtzpt_sf_sc +++ b/src/basis/libraries.bse/cc-pvtzpt_sf_sc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(pt/sf/sc) version number 0 # Description: VTZ2P Relativistic Valence Triple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzpt_sf_sc-autoaux b/src/basis/libraries.bse/cc-pvtzpt_sf_sc-autoaux index 57aef76e9f..0bfd467abd 100644 --- a/src/basis/libraries.bse/cc-pvtzpt_sf_sc-autoaux +++ b/src/basis/libraries.bse/cc-pvtzpt_sf_sc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(pt/sf/sc) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pvtzseg-opt b/src/basis/libraries.bse/cc-pvtzseg-opt index fdca4258eb..01280b2560 100644 --- a/src/basis/libraries.bse/cc-pvtzseg-opt +++ b/src/basis/libraries.bse/cc-pvtzseg-opt @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(seg-opt) version number 0 # Description: VTZ2P Valence Triple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/cc-pvtzseg-opt-autoaux b/src/basis/libraries.bse/cc-pvtzseg-opt-autoaux index c180efb77c..7d852c11b3 100644 --- a/src/basis/libraries.bse/cc-pvtzseg-opt-autoaux +++ b/src/basis/libraries.bse/cc-pvtzseg-opt-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pVTZ(seg-opt) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcv5z b/src/basis/libraries.bse/cc-pwcv5z index 58144d788a..89cef265d3 100644 --- a/src/basis/libraries.bse/cc-pwcv5z +++ b/src/basis/libraries.bse/cc-pwcv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z version number 0 # Description: 5Z4P Quintuple Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcv5z-autoaux b/src/basis/libraries.bse/cc-pwcv5z-autoaux index 4517f2ec86..4803e35291 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-autoaux +++ b/src/basis/libraries.bse/cc-pwcv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcv5z-dk b/src/basis/libraries.bse/cc-pwcv5z-dk index 1c838dea98..6d80315ea5 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-dk +++ b/src/basis/libraries.bse/cc-pwcv5z-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z-DK version number 0 # Description: cc-pwCV5Z-DK # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcv5z-dk-autoaux b/src/basis/libraries.bse/cc-pwcv5z-dk-autoaux index e3868a6157..17a2f88741 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-dk-autoaux +++ b/src/basis/libraries.bse/cc-pwcv5z-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcv5z-pp b/src/basis/libraries.bse/cc-pwcv5z-pp index 6c347502fe..5ff025aa4b 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-pp +++ b/src/basis/libraries.bse/cc-pwcv5z-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z-PP version number 0 # Description: cc-pwCV5Z-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcv5z-pp-autoaux b/src/basis/libraries.bse/cc-pwcv5z-pp-autoaux index 60d95c8ce6..1cef6ff497 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-pp-autoaux +++ b/src/basis/libraries.bse/cc-pwcv5z-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcv5z-pp-rifit b/src/basis/libraries.bse/cc-pwcv5z-pp-rifit index 9d2b95f2cd..a4ba5c19b2 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-pp-rifit +++ b/src/basis/libraries.bse/cc-pwcv5z-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z-PP-RIFIT version number 0 # Description: cc-pwCV5Z-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcv5z-rifit b/src/basis/libraries.bse/cc-pwcv5z-rifit index 66b4006359..39831dcf79 100644 --- a/src/basis/libraries.bse/cc-pwcv5z-rifit +++ b/src/basis/libraries.bse/cc-pwcv5z-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCV5Z-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pwCV5Z # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvdz b/src/basis/libraries.bse/cc-pwcvdz index 67eca0d9e2..d2b3a18775 100644 --- a/src/basis/libraries.bse/cc-pwcvdz +++ b/src/basis/libraries.bse/cc-pwcvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ version number 0 # Description: DZP Double Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvdz-autoaux b/src/basis/libraries.bse/cc-pwcvdz-autoaux index 8598187b8f..40bc733d8d 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-autoaux +++ b/src/basis/libraries.bse/cc-pwcvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvdz-dk3 b/src/basis/libraries.bse/cc-pwcvdz-dk3 index eb7d3fb206..cdbf4fa658 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-dk3 +++ b/src/basis/libraries.bse/cc-pwcvdz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-DK3 version number 1 # Description: cc-pwCVDZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvdz-dk3-autoaux b/src/basis/libraries.bse/cc-pwcvdz-dk3-autoaux index eb8eeb4f12..188f657b11 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-dk3-autoaux +++ b/src/basis/libraries.bse/cc-pwcvdz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvdz-pp b/src/basis/libraries.bse/cc-pwcvdz-pp index 133a9db5e8..669375b22b 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-pp +++ b/src/basis/libraries.bse/cc-pwcvdz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-PP version number 0 # Description: cc-pwCVDZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvdz-pp-autoaux b/src/basis/libraries.bse/cc-pwcvdz-pp-autoaux index c89972a8d5..2c4c381e00 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-pp-autoaux +++ b/src/basis/libraries.bse/cc-pwcvdz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvdz-pp-rifit b/src/basis/libraries.bse/cc-pwcvdz-pp-rifit index b419882ea3..095665fa7e 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-pp-rifit +++ b/src/basis/libraries.bse/cc-pwcvdz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-PP-RIFIT version number 0 # Description: cc-pwCVDZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvdz-rifit b/src/basis/libraries.bse/cc-pwcvdz-rifit index 579ca95d4e..1989396f69 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-rifit +++ b/src/basis/libraries.bse/cc-pwcvdz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pwCVDZ # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvdz-x2c b/src/basis/libraries.bse/cc-pwcvdz-x2c index 1698784a9d..e44d28a2f8 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-x2c +++ b/src/basis/libraries.bse/cc-pwcvdz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-X2C version number 1 # Description: cc-pwCVDZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvdz-x2c-autoaux b/src/basis/libraries.bse/cc-pwcvdz-x2c-autoaux index abc9fc58e0..ab86def082 100644 --- a/src/basis/libraries.bse/cc-pwcvdz-x2c-autoaux +++ b/src/basis/libraries.bse/cc-pwcvdz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVDZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvqz b/src/basis/libraries.bse/cc-pwcvqz index 3f9a2b5b8b..05fd96dadd 100644 --- a/src/basis/libraries.bse/cc-pwcvqz +++ b/src/basis/libraries.bse/cc-pwcvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ version number 0 # Description: QZ3P Quadruple Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvqz-autoaux b/src/basis/libraries.bse/cc-pwcvqz-autoaux index b2b75ad49a..befffbc304 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-autoaux +++ b/src/basis/libraries.bse/cc-pwcvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvqz-dk b/src/basis/libraries.bse/cc-pwcvqz-dk index b1d8f8e186..2afbf9b97b 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-dk +++ b/src/basis/libraries.bse/cc-pwcvqz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-DK version number 0 # Description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvqz-dk-autoaux b/src/basis/libraries.bse/cc-pwcvqz-dk-autoaux index c6c9af413d..e6a4399e06 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pwcvqz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvqz-dk3 b/src/basis/libraries.bse/cc-pwcvqz-dk3 index 2e9f298035..6c48d06b19 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-dk3 +++ b/src/basis/libraries.bse/cc-pwcvqz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-DK3 version number 2 # Description: cc-pwCVQZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvqz-dk3-autoaux b/src/basis/libraries.bse/cc-pwcvqz-dk3-autoaux index ca832b7968..945c2bb0bc 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-dk3-autoaux +++ b/src/basis/libraries.bse/cc-pwcvqz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-DK3 version number 2 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvqz-pp b/src/basis/libraries.bse/cc-pwcvqz-pp index c02a4f8577..fdd99e2b1c 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-pp +++ b/src/basis/libraries.bse/cc-pwcvqz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-PP version number 0 # Description: cc-pwCVQZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvqz-pp-autoaux b/src/basis/libraries.bse/cc-pwcvqz-pp-autoaux index 76d6063c96..2914696102 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-pp-autoaux +++ b/src/basis/libraries.bse/cc-pwcvqz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvqz-pp-rifit b/src/basis/libraries.bse/cc-pwcvqz-pp-rifit index a82b679007..4dc15f27d2 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-pp-rifit +++ b/src/basis/libraries.bse/cc-pwcvqz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-PP-RIFIT version number 0 # Description: cc-pwCVQZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvqz-rifit b/src/basis/libraries.bse/cc-pwcvqz-rifit index 9f6a04fa82..69c4d87df9 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-rifit +++ b/src/basis/libraries.bse/cc-pwcvqz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pwCVQZ # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvqz-x2c b/src/basis/libraries.bse/cc-pwcvqz-x2c index e4688dd138..9112aa5b29 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-x2c +++ b/src/basis/libraries.bse/cc-pwcvqz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-X2C version number 1 # Description: cc-pwCVQZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvqz-x2c-autoaux b/src/basis/libraries.bse/cc-pwcvqz-x2c-autoaux index 6794129342..18dfed0ba0 100644 --- a/src/basis/libraries.bse/cc-pwcvqz-x2c-autoaux +++ b/src/basis/libraries.bse/cc-pwcvqz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVQZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvtz b/src/basis/libraries.bse/cc-pwcvtz index 54b2b044e4..8fe6a82c10 100644 --- a/src/basis/libraries.bse/cc-pwcvtz +++ b/src/basis/libraries.bse/cc-pwcvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ version number 0 # Description: TZ2P Triple Zeta + Polarization + Tight Core # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvtz-autoaux b/src/basis/libraries.bse/cc-pwcvtz-autoaux index fec2ca16d1..9b1b9918ac 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-autoaux +++ b/src/basis/libraries.bse/cc-pwcvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvtz-dk b/src/basis/libraries.bse/cc-pwcvtz-dk index 6176320c11..894cec1ea9 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-dk +++ b/src/basis/libraries.bse/cc-pwcvtz-dk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-DK version number 0 # Description: cc-pwCVTZ-DK # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvtz-dk-autoaux b/src/basis/libraries.bse/cc-pwcvtz-dk-autoaux index 0d0562ddee..0688efcd05 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-dk-autoaux +++ b/src/basis/libraries.bse/cc-pwcvtz-dk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-DK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvtz-dk3 b/src/basis/libraries.bse/cc-pwcvtz-dk3 index 5185ef4d7f..e4bde9731a 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-dk3 +++ b/src/basis/libraries.bse/cc-pwcvtz-dk3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-DK3 version number 1 # Description: cc-pwCVTZ-DK3 # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvtz-dk3-autoaux b/src/basis/libraries.bse/cc-pwcvtz-dk3-autoaux index 8706877d66..c2a5f844d4 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-dk3-autoaux +++ b/src/basis/libraries.bse/cc-pwcvtz-dk3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-DK3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvtz-pp b/src/basis/libraries.bse/cc-pwcvtz-pp index 597d26d114..3f2750d426 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-pp +++ b/src/basis/libraries.bse/cc-pwcvtz-pp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-PP version number 0 # Description: cc-pwCVTZ-PP # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvtz-pp-autoaux b/src/basis/libraries.bse/cc-pwcvtz-pp-autoaux index 80ea3f2b61..a3168c5d94 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-pp-autoaux +++ b/src/basis/libraries.bse/cc-pwcvtz-pp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-PP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cc-pwcvtz-pp-rifit b/src/basis/libraries.bse/cc-pwcvtz-pp-rifit index 2fd653deae..356e99dc2f 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-pp-rifit +++ b/src/basis/libraries.bse/cc-pwcvtz-pp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-PP-RIFIT version number 0 # Description: cc-pwCVTZ-PP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvtz-rifit b/src/basis/libraries.bse/cc-pwcvtz-rifit index f36eb7891a..55c229cdbf 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-rifit +++ b/src/basis/libraries.bse/cc-pwcvtz-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-RIFIT version number 1 # Description: RI Fitting basis for use with cc-pwCVTZ # Role: rifit diff --git a/src/basis/libraries.bse/cc-pwcvtz-x2c b/src/basis/libraries.bse/cc-pwcvtz-x2c index 2fbdbf2cb8..758245f9da 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-x2c +++ b/src/basis/libraries.bse/cc-pwcvtz-x2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-X2C version number 1 # Description: cc-pwCVTZ-X2C # Role: orbital diff --git a/src/basis/libraries.bse/cc-pwcvtz-x2c-autoaux b/src/basis/libraries.bse/cc-pwcvtz-x2c-autoaux index f2c8170944..5a66edca10 100644 --- a/src/basis/libraries.bse/cc-pwcvtz-x2c-autoaux +++ b/src/basis/libraries.bse/cc-pwcvtz-x2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # cc-pwCVTZ-X2C version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccemd-2 b/src/basis/libraries.bse/ccemd-2 index bd902061fa..2879a2653e 100644 --- a/src/basis/libraries.bse/ccemd-2 +++ b/src/basis/libraries.bse/ccemd-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccemd-2 version number 0 # Description: ccemd-2: Correlation-consistent electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/ccemd-2-autoaux b/src/basis/libraries.bse/ccemd-2-autoaux index daac441c49..a6df4471ef 100644 --- a/src/basis/libraries.bse/ccemd-2-autoaux +++ b/src/basis/libraries.bse/ccemd-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccemd-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccemd-3 b/src/basis/libraries.bse/ccemd-3 index b4636b1ed7..6cd03d0d75 100644 --- a/src/basis/libraries.bse/ccemd-3 +++ b/src/basis/libraries.bse/ccemd-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccemd-3 version number 0 # Description: ccemd-3: Correlation-consistent electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/ccemd-3-autoaux b/src/basis/libraries.bse/ccemd-3-autoaux index 3f421a92b8..7af044a58b 100644 --- a/src/basis/libraries.bse/ccemd-3-autoaux +++ b/src/basis/libraries.bse/ccemd-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccemd-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccj-pv5z b/src/basis/libraries.bse/ccj-pv5z index 449e9019d0..d38f317dbd 100644 --- a/src/basis/libraries.bse/ccj-pv5z +++ b/src/basis/libraries.bse/ccj-pv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pV5Z version number 0 # Description: ccJ-pV5Z # Role: orbital diff --git a/src/basis/libraries.bse/ccj-pv5z-autoaux b/src/basis/libraries.bse/ccj-pv5z-autoaux index ab69aadc4a..ec129b82f6 100644 --- a/src/basis/libraries.bse/ccj-pv5z-autoaux +++ b/src/basis/libraries.bse/ccj-pv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccj-pvdz b/src/basis/libraries.bse/ccj-pvdz index b9d689fe36..299fb0e1b4 100644 --- a/src/basis/libraries.bse/ccj-pvdz +++ b/src/basis/libraries.bse/ccj-pvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pVDZ version number 0 # Description: ccJ-pVDZ # Role: orbital diff --git a/src/basis/libraries.bse/ccj-pvdz-autoaux b/src/basis/libraries.bse/ccj-pvdz-autoaux index 20bed42437..e2385bd2df 100644 --- a/src/basis/libraries.bse/ccj-pvdz-autoaux +++ b/src/basis/libraries.bse/ccj-pvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccj-pvqz b/src/basis/libraries.bse/ccj-pvqz index bbdf96c3c5..4b211cc74b 100644 --- a/src/basis/libraries.bse/ccj-pvqz +++ b/src/basis/libraries.bse/ccj-pvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pVQZ version number 0 # Description: ccJ-pVQZ # Role: orbital diff --git a/src/basis/libraries.bse/ccj-pvqz-autoaux b/src/basis/libraries.bse/ccj-pvqz-autoaux index 173028ac78..8836f7b9dc 100644 --- a/src/basis/libraries.bse/ccj-pvqz-autoaux +++ b/src/basis/libraries.bse/ccj-pvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccj-pvtz b/src/basis/libraries.bse/ccj-pvtz index 7b37f4e868..d543fce311 100644 --- a/src/basis/libraries.bse/ccj-pvtz +++ b/src/basis/libraries.bse/ccj-pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pVTZ version number 0 # Description: ccJ-pVTZ # Role: orbital diff --git a/src/basis/libraries.bse/ccj-pvtz-autoaux b/src/basis/libraries.bse/ccj-pvtz-autoaux index 18da38ed61..3ac3b662e9 100644 --- a/src/basis/libraries.bse/ccj-pvtz-autoaux +++ b/src/basis/libraries.bse/ccj-pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccJ-pVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccx-5z b/src/basis/libraries.bse/ccx-5z index b2a11023a5..b0b93e4b9a 100644 --- a/src/basis/libraries.bse/ccx-5z +++ b/src/basis/libraries.bse/ccx-5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-5Z version number 1 # Description: Basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/ccx-5z-autoaux b/src/basis/libraries.bse/ccx-5z-autoaux index 0cae0a8118..8d37bc6d5d 100644 --- a/src/basis/libraries.bse/ccx-5z-autoaux +++ b/src/basis/libraries.bse/ccx-5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-5Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccx-dz b/src/basis/libraries.bse/ccx-dz index 1b755accd5..63b890208e 100644 --- a/src/basis/libraries.bse/ccx-dz +++ b/src/basis/libraries.bse/ccx-dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-DZ version number 1 # Description: Basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/ccx-dz-autoaux b/src/basis/libraries.bse/ccx-dz-autoaux index 3e1f862b79..d990730cf4 100644 --- a/src/basis/libraries.bse/ccx-dz-autoaux +++ b/src/basis/libraries.bse/ccx-dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-DZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccx-qz b/src/basis/libraries.bse/ccx-qz index ed63aff8ee..301786a53f 100644 --- a/src/basis/libraries.bse/ccx-qz +++ b/src/basis/libraries.bse/ccx-qz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-QZ version number 1 # Description: Basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/ccx-qz-autoaux b/src/basis/libraries.bse/ccx-qz-autoaux index 1668ae3d30..ebd38cd2e5 100644 --- a/src/basis/libraries.bse/ccx-qz-autoaux +++ b/src/basis/libraries.bse/ccx-qz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-QZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ccx-tz b/src/basis/libraries.bse/ccx-tz index 9463a967b9..dadd262282 100644 --- a/src/basis/libraries.bse/ccx-tz +++ b/src/basis/libraries.bse/ccx-tz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-TZ version number 1 # Description: Basis set for calculation of core excitations by the correlated wave function linear response and equation-of-motion methods # Role: orbital diff --git a/src/basis/libraries.bse/ccx-tz-autoaux b/src/basis/libraries.bse/ccx-tz-autoaux index f999d27ead..b288ffb2e2 100644 --- a/src/basis/libraries.bse/ccx-tz-autoaux +++ b/src/basis/libraries.bse/ccx-tz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ccX-TZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/coemd-2 b/src/basis/libraries.bse/coemd-2 index fcb243e7de..88e24d6dc2 100644 --- a/src/basis/libraries.bse/coemd-2 +++ b/src/basis/libraries.bse/coemd-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-2 version number 0 # Description: coemd-2: completness-optimized for electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/coemd-2-autoaux b/src/basis/libraries.bse/coemd-2-autoaux index b7adf317f3..5c0885dd1a 100644 --- a/src/basis/libraries.bse/coemd-2-autoaux +++ b/src/basis/libraries.bse/coemd-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/coemd-3 b/src/basis/libraries.bse/coemd-3 index 9661fad561..6de9b037ca 100644 --- a/src/basis/libraries.bse/coemd-3 +++ b/src/basis/libraries.bse/coemd-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-3 version number 0 # Description: coemd-3: completness-optimized for electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/coemd-3-autoaux b/src/basis/libraries.bse/coemd-3-autoaux index 5c7dbb1a96..83b69a892b 100644 --- a/src/basis/libraries.bse/coemd-3-autoaux +++ b/src/basis/libraries.bse/coemd-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/coemd-4 b/src/basis/libraries.bse/coemd-4 index c9bfd90b7c..2273cbd2e5 100644 --- a/src/basis/libraries.bse/coemd-4 +++ b/src/basis/libraries.bse/coemd-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-4 version number 0 # Description: coemd-4: completness-optimized for electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/coemd-4-autoaux b/src/basis/libraries.bse/coemd-4-autoaux index b62293947e..779a98f863 100644 --- a/src/basis/libraries.bse/coemd-4-autoaux +++ b/src/basis/libraries.bse/coemd-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/coemd-ref b/src/basis/libraries.bse/coemd-ref index 02b98c93e6..01498eb2a9 100644 --- a/src/basis/libraries.bse/coemd-ref +++ b/src/basis/libraries.bse/coemd-ref @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-ref version number 0 # Description: coemd-ref: completness-optimized for electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/coemd-ref-autoaux b/src/basis/libraries.bse/coemd-ref-autoaux index c6fe5ee48f..93f0b02353 100644 --- a/src/basis/libraries.bse/coemd-ref-autoaux +++ b/src/basis/libraries.bse/coemd-ref-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # coemd-ref version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/cologne_dkh2 b/src/basis/libraries.bse/cologne_dkh2 index 6f17bfa9b5..10ee4cd624 100644 --- a/src/basis/libraries.bse/cologne_dkh2 +++ b/src/basis/libraries.bse/cologne_dkh2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Cologne DKH2 version number 0 # Description: Cologne DKH2 # Role: orbital diff --git a/src/basis/libraries.bse/cologne_dkh2-autoaux b/src/basis/libraries.bse/cologne_dkh2-autoaux index 686dc50990..a237fe2ef1 100644 --- a/src/basis/libraries.bse/cologne_dkh2-autoaux +++ b/src/basis/libraries.bse/cologne_dkh2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Cologne DKH2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/crenbl b/src/basis/libraries.bse/crenbl index d19e25ed6a..97721e2f87 100644 --- a/src/basis/libraries.bse/crenbl +++ b/src/basis/libraries.bse/crenbl @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBL version number 0 # Description: CRENBL designed for use with small core potentials # Role: orbital @@ -113,7 +113,7 @@ # lajohn1987a # LaJohn, L. A., Christiansen, P. A., Ross, R. B., Atashroo, T., Ermler, # W. C. -# Abinitiorelativistic effective potentials with spin-orbit operators. +# Ab initio relativistic effective potentials with spin-orbit operators. # III. Rb through Xe # J. Chem. Phys. 87, 2812-2824 (1987) # 10.1063/1.453069 diff --git a/src/basis/libraries.bse/crenbl-autoaux b/src/basis/libraries.bse/crenbl-autoaux index 71a3c1ca4d..2329e16a8c 100644 --- a/src/basis/libraries.bse/crenbl-autoaux +++ b/src/basis/libraries.bse/crenbl-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBL version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/crenbl_ecp b/src/basis/libraries.bse/crenbl_ecp index 16d64fea35..de74574346 100644 --- a/src/basis/libraries.bse/crenbl_ecp +++ b/src/basis/libraries.bse/crenbl_ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBL ECP version number 0 # Description: CRENBL ECP (Large ECP orbital basis for use with small core potentials) # Role: orbital @@ -80,7 +80,7 @@ # lajohn1987a # LaJohn, L. A., Christiansen, P. A., Ross, R. B., Atashroo, T., Ermler, # W. C. -# Abinitiorelativistic effective potentials with spin-orbit operators. +# Ab initio relativistic effective potentials with spin-orbit operators. # III. Rb through Xe # J. Chem. Phys. 87, 2812-2824 (1987) # 10.1063/1.453069 diff --git a/src/basis/libraries.bse/crenbl_ecp-autoaux b/src/basis/libraries.bse/crenbl_ecp-autoaux index dfd1e0b5af..35570642a8 100644 --- a/src/basis/libraries.bse/crenbl_ecp-autoaux +++ b/src/basis/libraries.bse/crenbl_ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBL ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/crenbs b/src/basis/libraries.bse/crenbs index c9e64c14a1..b51239ea77 100644 --- a/src/basis/libraries.bse/crenbs +++ b/src/basis/libraries.bse/crenbs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBS version number 0 # Description: CRENBS designed for use with large core potentials # Role: orbital @@ -73,7 +73,7 @@ # lajohn1987a # LaJohn, L. A., Christiansen, P. A., Ross, R. B., Atashroo, T., Ermler, # W. C. -# Abinitiorelativistic effective potentials with spin-orbit operators. +# Ab initio relativistic effective potentials with spin-orbit operators. # III. Rb through Xe # J. Chem. Phys. 87, 2812-2824 (1987) # 10.1063/1.453069 diff --git a/src/basis/libraries.bse/crenbs-autoaux b/src/basis/libraries.bse/crenbs-autoaux index 52358a2471..702a261fdd 100644 --- a/src/basis/libraries.bse/crenbs-autoaux +++ b/src/basis/libraries.bse/crenbs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBS version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/crenbs_ecp b/src/basis/libraries.bse/crenbs_ecp index 0ba0f21d81..4eebff1897 100644 --- a/src/basis/libraries.bse/crenbs_ecp +++ b/src/basis/libraries.bse/crenbs_ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBS ECP version number 0 # Description: CRENBS ECP (Small ECP orbital basis for use with relativistic, large core ECPs) # Role: orbital @@ -61,7 +61,7 @@ # lajohn1987a # LaJohn, L. A., Christiansen, P. A., Ross, R. B., Atashroo, T., Ermler, # W. C. -# Abinitiorelativistic effective potentials with spin-orbit operators. +# Ab initio relativistic effective potentials with spin-orbit operators. # III. Rb through Xe # J. Chem. Phys. 87, 2812-2824 (1987) # 10.1063/1.453069 diff --git a/src/basis/libraries.bse/crenbs_ecp-autoaux b/src/basis/libraries.bse/crenbs_ecp-autoaux index 504e5ccaf3..add326d72c 100644 --- a/src/basis/libraries.bse/crenbs_ecp-autoaux +++ b/src/basis/libraries.bse/crenbs_ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # CRENBS ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/d-aug-cc-pv5z b/src/basis/libraries.bse/d-aug-cc-pv5z index ad13bc8e2c..7945589ba4 100644 --- a/src/basis/libraries.bse/d-aug-cc-pv5z +++ b/src/basis/libraries.bse/d-aug-cc-pv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pV5Z version number 0 # Description: V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/d-aug-cc-pv5z-autoaux b/src/basis/libraries.bse/d-aug-cc-pv5z-autoaux index e949ebb8b5..cb89dd36b0 100644 --- a/src/basis/libraries.bse/d-aug-cc-pv5z-autoaux +++ b/src/basis/libraries.bse/d-aug-cc-pv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/d-aug-cc-pv6z b/src/basis/libraries.bse/d-aug-cc-pv6z index 179d46228a..1c3d8b4254 100644 --- a/src/basis/libraries.bse/d-aug-cc-pv6z +++ b/src/basis/libraries.bse/d-aug-cc-pv6z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pV6Z version number 0 # Description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/d-aug-cc-pv6z-autoaux b/src/basis/libraries.bse/d-aug-cc-pv6z-autoaux index 886c34805c..fba9d9cd16 100644 --- a/src/basis/libraries.bse/d-aug-cc-pv6z-autoaux +++ b/src/basis/libraries.bse/d-aug-cc-pv6z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pV6Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/d-aug-cc-pvdz b/src/basis/libraries.bse/d-aug-cc-pvdz index edebeaba93..e85037fa04 100644 --- a/src/basis/libraries.bse/d-aug-cc-pvdz +++ b/src/basis/libraries.bse/d-aug-cc-pvdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pVDZ version number 0 # Description: VDZ2PD Valence Double Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/d-aug-cc-pvdz-autoaux b/src/basis/libraries.bse/d-aug-cc-pvdz-autoaux index 4d838ddf8b..641c06f9e0 100644 --- a/src/basis/libraries.bse/d-aug-cc-pvdz-autoaux +++ b/src/basis/libraries.bse/d-aug-cc-pvdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pVDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/d-aug-cc-pvqz b/src/basis/libraries.bse/d-aug-cc-pvqz index 0a9ad912c0..16cb569232 100644 --- a/src/basis/libraries.bse/d-aug-cc-pvqz +++ b/src/basis/libraries.bse/d-aug-cc-pvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pVQZ version number 0 # Description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/d-aug-cc-pvqz-autoaux b/src/basis/libraries.bse/d-aug-cc-pvqz-autoaux index bbd627f2a2..fc3ee437c6 100644 --- a/src/basis/libraries.bse/d-aug-cc-pvqz-autoaux +++ b/src/basis/libraries.bse/d-aug-cc-pvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/d-aug-cc-pvtz b/src/basis/libraries.bse/d-aug-cc-pvtz index 2b1b9b2542..23da552316 100644 --- a/src/basis/libraries.bse/d-aug-cc-pvtz +++ b/src/basis/libraries.bse/d-aug-cc-pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pVTZ version number 0 # Description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/d-aug-cc-pvtz-autoaux b/src/basis/libraries.bse/d-aug-cc-pvtz-autoaux index dfbf817899..a91663be7d 100644 --- a/src/basis/libraries.bse/d-aug-cc-pvtz-autoaux +++ b/src/basis/libraries.bse/d-aug-cc-pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # d-aug-cc-pVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-ecp b/src/basis/libraries.bse/def2-ecp index ab9b2899ff..f441bfd574 100644 --- a/src/basis/libraries.bse/def2-ecp +++ b/src/basis/libraries.bse/def2-ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-ECP version number 1 # Description: ECP for use with Ahlrichs def2 basis sets # Role: orbital diff --git a/src/basis/libraries.bse/def2-ecp-autoaux b/src/basis/libraries.bse/def2-ecp-autoaux index 4881d78d9a..40380a0e20 100644 --- a/src/basis/libraries.bse/def2-ecp-autoaux +++ b/src/basis/libraries.bse/def2-ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-ECP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-qzvp b/src/basis/libraries.bse/def2-qzvp index fe1d0c10c1..8e822fdef8 100644 --- a/src/basis/libraries.bse/def2-qzvp +++ b/src/basis/libraries.bse/def2-qzvp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVP version number 1 # Description: def2-QZVP # Role: orbital diff --git a/src/basis/libraries.bse/def2-qzvp-autoaux b/src/basis/libraries.bse/def2-qzvp-autoaux index 228c5fea65..d8c2b7cbf1 100644 --- a/src/basis/libraries.bse/def2-qzvp-autoaux +++ b/src/basis/libraries.bse/def2-qzvp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-qzvp-rifit b/src/basis/libraries.bse/def2-qzvp-rifit index 25e6e924c2..0fb1ca9c3e 100644 --- a/src/basis/libraries.bse/def2-qzvp-rifit +++ b/src/basis/libraries.bse/def2-qzvp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVP-RIFIT version number 1 # Description: RIMP2 auxiliary basis for def2-QZVPP # Role: rifit diff --git a/src/basis/libraries.bse/def2-qzvpd b/src/basis/libraries.bse/def2-qzvpd index 07958d6aae..0db24f5f67 100644 --- a/src/basis/libraries.bse/def2-qzvpd +++ b/src/basis/libraries.bse/def2-qzvpd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPD version number 1 # Description: def2-QZVPD # Role: orbital diff --git a/src/basis/libraries.bse/def2-qzvpd-autoaux b/src/basis/libraries.bse/def2-qzvpd-autoaux index a4d8025276..85cd2dd3e2 100644 --- a/src/basis/libraries.bse/def2-qzvpd-autoaux +++ b/src/basis/libraries.bse/def2-qzvpd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPD version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-qzvpp b/src/basis/libraries.bse/def2-qzvpp index a47bdd0f78..9d05e36c22 100644 --- a/src/basis/libraries.bse/def2-qzvpp +++ b/src/basis/libraries.bse/def2-qzvpp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPP version number 1 # Description: def2-QZVPP # Role: orbital diff --git a/src/basis/libraries.bse/def2-qzvpp-autoaux b/src/basis/libraries.bse/def2-qzvpp-autoaux index 91f30ba4f1..e7855c550d 100644 --- a/src/basis/libraries.bse/def2-qzvpp-autoaux +++ b/src/basis/libraries.bse/def2-qzvpp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-qzvpp-rifit b/src/basis/libraries.bse/def2-qzvpp-rifit index fa1ecf550e..8a429e6c99 100644 --- a/src/basis/libraries.bse/def2-qzvpp-rifit +++ b/src/basis/libraries.bse/def2-qzvpp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPP-RIFIT version number 1 # Description: RIMP2 auxiliary basis for def2-QZVPP # Role: rifit diff --git a/src/basis/libraries.bse/def2-qzvppd b/src/basis/libraries.bse/def2-qzvppd index 021e626ab0..f2a1c31b11 100644 --- a/src/basis/libraries.bse/def2-qzvppd +++ b/src/basis/libraries.bse/def2-qzvppd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPPD version number 1 # Description: def2-QZVPPD # Role: orbital diff --git a/src/basis/libraries.bse/def2-qzvppd-autoaux b/src/basis/libraries.bse/def2-qzvppd-autoaux index faae3fb0d7..d695094346 100644 --- a/src/basis/libraries.bse/def2-qzvppd-autoaux +++ b/src/basis/libraries.bse/def2-qzvppd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPPD version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-qzvppd-rifit b/src/basis/libraries.bse/def2-qzvppd-rifit index cc8ba08e79..8ca77502a4 100644 --- a/src/basis/libraries.bse/def2-qzvppd-rifit +++ b/src/basis/libraries.bse/def2-qzvppd-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-QZVPPD-RIFIT version number 1 # Description: def2-QZVPPD-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/def2-svp b/src/basis/libraries.bse/def2-svp index 754ca9f4f7..9ae7c6f92b 100644 --- a/src/basis/libraries.bse/def2-svp +++ b/src/basis/libraries.bse/def2-svp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SVP version number 1 # Description: def2-SVP # Role: orbital diff --git a/src/basis/libraries.bse/def2-svp-autoaux b/src/basis/libraries.bse/def2-svp-autoaux index 30cd3af969..23e3305755 100644 --- a/src/basis/libraries.bse/def2-svp-autoaux +++ b/src/basis/libraries.bse/def2-svp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SVP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-svp-jkfit b/src/basis/libraries.bse/def2-svp-jkfit index 59c51323b3..0fbbb8c0ab 100644 --- a/src/basis/libraries.bse/def2-svp-jkfit +++ b/src/basis/libraries.bse/def2-svp-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SV(P)-JKFIT version number 1 # Description: Coulomb/Exchange fitting auxiliary basis for def2 basis sets # Role: jkfit diff --git a/src/basis/libraries.bse/def2-svp-rifit b/src/basis/libraries.bse/def2-svp-rifit index 5e1a8e8235..0f1229c5e4 100644 --- a/src/basis/libraries.bse/def2-svp-rifit +++ b/src/basis/libraries.bse/def2-svp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SVP-RIFIT version number 1 # Description: def2-SVP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/def2-svpd b/src/basis/libraries.bse/def2-svpd index 4b5732f4e4..61810c4e52 100644 --- a/src/basis/libraries.bse/def2-svpd +++ b/src/basis/libraries.bse/def2-svpd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SVPD version number 1 # Description: def2-SVPD # Role: orbital diff --git a/src/basis/libraries.bse/def2-svpd-autoaux b/src/basis/libraries.bse/def2-svpd-autoaux index cd4438166d..03f866b094 100644 --- a/src/basis/libraries.bse/def2-svpd-autoaux +++ b/src/basis/libraries.bse/def2-svpd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SVPD version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-svpd-rifit b/src/basis/libraries.bse/def2-svpd-rifit index 7684d618c7..03492e6046 100644 --- a/src/basis/libraries.bse/def2-svpd-rifit +++ b/src/basis/libraries.bse/def2-svpd-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-SVPD-RIFIT version number 1 # Description: def2-SVPD-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/def2-tzvp b/src/basis/libraries.bse/def2-tzvp index a95e0bb72a..ded92053b1 100644 --- a/src/basis/libraries.bse/def2-tzvp +++ b/src/basis/libraries.bse/def2-tzvp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVP version number 1 # Description: def2-TZVP # Role: orbital diff --git a/src/basis/libraries.bse/def2-tzvp-autoaux b/src/basis/libraries.bse/def2-tzvp-autoaux index 2a874022c5..ea767b22e5 100644 --- a/src/basis/libraries.bse/def2-tzvp-autoaux +++ b/src/basis/libraries.bse/def2-tzvp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-tzvp-rifit b/src/basis/libraries.bse/def2-tzvp-rifit index e57a3d6a89..4259889f92 100644 --- a/src/basis/libraries.bse/def2-tzvp-rifit +++ b/src/basis/libraries.bse/def2-tzvp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVP-RIFIT version number 1 # Description: RIMP2 auxiliary basis for def2-TZVP # Role: rifit diff --git a/src/basis/libraries.bse/def2-tzvpd b/src/basis/libraries.bse/def2-tzvpd index b9ad447dac..ceaf43952c 100644 --- a/src/basis/libraries.bse/def2-tzvpd +++ b/src/basis/libraries.bse/def2-tzvpd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPD version number 1 # Description: def2-TZVPD # Role: orbital diff --git a/src/basis/libraries.bse/def2-tzvpd-autoaux b/src/basis/libraries.bse/def2-tzvpd-autoaux index f574548fd7..52c14d5db5 100644 --- a/src/basis/libraries.bse/def2-tzvpd-autoaux +++ b/src/basis/libraries.bse/def2-tzvpd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPD version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-tzvpd-rifit b/src/basis/libraries.bse/def2-tzvpd-rifit index 9f01f7f5d0..0998a3e159 100644 --- a/src/basis/libraries.bse/def2-tzvpd-rifit +++ b/src/basis/libraries.bse/def2-tzvpd-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPD-RIFIT version number 1 # Description: def2-TZVPD-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/def2-tzvpp b/src/basis/libraries.bse/def2-tzvpp index f69af7364e..30ce3a2c93 100644 --- a/src/basis/libraries.bse/def2-tzvpp +++ b/src/basis/libraries.bse/def2-tzvpp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPP version number 1 # Description: def2-TZVPP # Role: orbital diff --git a/src/basis/libraries.bse/def2-tzvpp-autoaux b/src/basis/libraries.bse/def2-tzvpp-autoaux index 0b6da27f39..90889bf421 100644 --- a/src/basis/libraries.bse/def2-tzvpp-autoaux +++ b/src/basis/libraries.bse/def2-tzvpp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-tzvpp-rifit b/src/basis/libraries.bse/def2-tzvpp-rifit index 95993f63f8..14383a8b8a 100644 --- a/src/basis/libraries.bse/def2-tzvpp-rifit +++ b/src/basis/libraries.bse/def2-tzvpp-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPP-RIFIT version number 1 # Description: def2-TZVPP-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/def2-tzvppd b/src/basis/libraries.bse/def2-tzvppd index feb18b2f4c..a43d8a78dd 100644 --- a/src/basis/libraries.bse/def2-tzvppd +++ b/src/basis/libraries.bse/def2-tzvppd @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPPD version number 1 # Description: def2-TZVPPD # Role: orbital diff --git a/src/basis/libraries.bse/def2-tzvppd-autoaux b/src/basis/libraries.bse/def2-tzvppd-autoaux index 36da180bcf..0922f18d2b 100644 --- a/src/basis/libraries.bse/def2-tzvppd-autoaux +++ b/src/basis/libraries.bse/def2-tzvppd-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPPD version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/def2-tzvppd-rifit b/src/basis/libraries.bse/def2-tzvppd-rifit index 089b36a5cb..251887481c 100644 --- a/src/basis/libraries.bse/def2-tzvppd-rifit +++ b/src/basis/libraries.bse/def2-tzvppd-rifit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-TZVPPD-RIFIT version number 1 # Description: def2-TZVPPD-RIFIT # Role: rifit diff --git a/src/basis/libraries.bse/def2-universal-jfit b/src/basis/libraries.bse/def2-universal-jfit index 9cd4c69f73..1405d9783a 100644 --- a/src/basis/libraries.bse/def2-universal-jfit +++ b/src/basis/libraries.bse/def2-universal-jfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-universal-JFIT version number 1 # Description: Coulomb fitting auxiliary basis for def2 basis sets # Role: jfit diff --git a/src/basis/libraries.bse/def2-universal-jkfit b/src/basis/libraries.bse/def2-universal-jkfit index e50fe173b8..0ee10bea9e 100644 --- a/src/basis/libraries.bse/def2-universal-jkfit +++ b/src/basis/libraries.bse/def2-universal-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # def2-universal-JKFIT version number 1 # Description: Coulomb/Exchange fitting auxiliary basis for def2 basis sets # Role: jkfit diff --git a/src/basis/libraries.bse/demon2k-dzvp-gga b/src/basis/libraries.bse/demon2k-dzvp-gga index 975b6404b2..daa2766645 100644 --- a/src/basis/libraries.bse/demon2k-dzvp-gga +++ b/src/basis/libraries.bse/demon2k-dzvp-gga @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # deMon2k-DZVP-GGA version number 1 # Description: DZVP-GGA basis of the deMon2k code # Role: orbital diff --git a/src/basis/libraries.bse/demon2k-dzvp-gga-autoaux b/src/basis/libraries.bse/demon2k-dzvp-gga-autoaux index 1e88602c67..4264c01631 100644 --- a/src/basis/libraries.bse/demon2k-dzvp-gga-autoaux +++ b/src/basis/libraries.bse/demon2k-dzvp-gga-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # deMon2k-DZVP-GGA version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dfo+-nrlmol b/src/basis/libraries.bse/dfo+-nrlmol index aec06aa69c..9e488f0d87 100644 --- a/src/basis/libraries.bse/dfo+-nrlmol +++ b/src/basis/libraries.bse/dfo+-nrlmol @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO+-NRLMOL version number 1 # Description: DFO+ basis from NRLMOL # Role: orbital diff --git a/src/basis/libraries.bse/dfo+-nrlmol-autoaux b/src/basis/libraries.bse/dfo+-nrlmol-autoaux index 92b855f73d..39fae70747 100644 --- a/src/basis/libraries.bse/dfo+-nrlmol-autoaux +++ b/src/basis/libraries.bse/dfo+-nrlmol-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO+-NRLMOL version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dfo-1 b/src/basis/libraries.bse/dfo-1 index ff0f3d62af..8907baec58 100644 --- a/src/basis/libraries.bse/dfo-1 +++ b/src/basis/libraries.bse/dfo-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-1 version number 1 # Description: Optimized gaussian basis set for Density-functional calculations # Role: orbital diff --git a/src/basis/libraries.bse/dfo-1-autoaux b/src/basis/libraries.bse/dfo-1-autoaux index 3a852fb70a..cde0c64a9f 100644 --- a/src/basis/libraries.bse/dfo-1-autoaux +++ b/src/basis/libraries.bse/dfo-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dfo-1-bhs b/src/basis/libraries.bse/dfo-1-bhs index 80d5d46c1a..4b94eb3971 100644 --- a/src/basis/libraries.bse/dfo-1-bhs +++ b/src/basis/libraries.bse/dfo-1-bhs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-1-BHS version number 1 # Description: Optimized gaussian basis set for Density-functional calculations (requiring pseudopotential) # Role: orbital diff --git a/src/basis/libraries.bse/dfo-1-bhs-autoaux b/src/basis/libraries.bse/dfo-1-bhs-autoaux index 97a56d7a2c..e9f7b6e76c 100644 --- a/src/basis/libraries.bse/dfo-1-bhs-autoaux +++ b/src/basis/libraries.bse/dfo-1-bhs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-1-BHS version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dfo-2 b/src/basis/libraries.bse/dfo-2 index e3147e5efc..5bcc335fb8 100644 --- a/src/basis/libraries.bse/dfo-2 +++ b/src/basis/libraries.bse/dfo-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-2 version number 1 # Description: Optimized gaussian basis set for Density-functional calculations # Role: orbital diff --git a/src/basis/libraries.bse/dfo-2-autoaux b/src/basis/libraries.bse/dfo-2-autoaux index 8c9ac662b7..0ff1040235 100644 --- a/src/basis/libraries.bse/dfo-2-autoaux +++ b/src/basis/libraries.bse/dfo-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dfo-nrlmol b/src/basis/libraries.bse/dfo-nrlmol index 497671af83..47dfeee7f7 100644 --- a/src/basis/libraries.bse/dfo-nrlmol +++ b/src/basis/libraries.bse/dfo-nrlmol @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-NRLMOL version number 1 # Description: DFO basis from NRLMOL # Role: orbital diff --git a/src/basis/libraries.bse/dfo-nrlmol-autoaux b/src/basis/libraries.bse/dfo-nrlmol-autoaux index 9718fec889..d30ec49371 100644 --- a/src/basis/libraries.bse/dfo-nrlmol-autoaux +++ b/src/basis/libraries.bse/dfo-nrlmol-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DFO-NRLMOL version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dgauss-a1-dftjfit b/src/basis/libraries.bse/dgauss-a1-dftjfit index 15abaea354..f3c7436d0a 100644 --- a/src/basis/libraries.bse/dgauss-a1-dftjfit +++ b/src/basis/libraries.bse/dgauss-a1-dftjfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-a1-dftjfit version number 0 # Description: DGauss A1 DFT Columb Fitting # Role: dftjfit diff --git a/src/basis/libraries.bse/dgauss-a1-dftxfit b/src/basis/libraries.bse/dgauss-a1-dftxfit index ed5b7483e2..a86cb47887 100644 --- a/src/basis/libraries.bse/dgauss-a1-dftxfit +++ b/src/basis/libraries.bse/dgauss-a1-dftxfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-a1-dftxfit version number 0 # Description: DGauss A1 DFT Exchange Fitting # Role: dftxfit diff --git a/src/basis/libraries.bse/dgauss-a2-dftjfit b/src/basis/libraries.bse/dgauss-a2-dftjfit index 64d8ae213a..068aa84886 100644 --- a/src/basis/libraries.bse/dgauss-a2-dftjfit +++ b/src/basis/libraries.bse/dgauss-a2-dftjfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-a2-dftjfit version number 0 # Description: DGauss A2 DFT Columb Fitting # Role: dftjfit diff --git a/src/basis/libraries.bse/dgauss-a2-dftxfit b/src/basis/libraries.bse/dgauss-a2-dftxfit index ca0f31b915..db7bcbdabf 100644 --- a/src/basis/libraries.bse/dgauss-a2-dftxfit +++ b/src/basis/libraries.bse/dgauss-a2-dftxfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-a2-dftxfit version number 0 # Description: DGauss A2 DFT Exchange Fitting # Role: dftxfit diff --git a/src/basis/libraries.bse/dgauss-dzvp b/src/basis/libraries.bse/dgauss-dzvp index 99543f2c0b..5d63208dbe 100644 --- a/src/basis/libraries.bse/dgauss-dzvp +++ b/src/basis/libraries.bse/dgauss-dzvp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-dzvp version number 0 # Description: VDZP Valence Double Zeta + Polarization designed for DFT # Role: orbital diff --git a/src/basis/libraries.bse/dgauss-dzvp-autoaux b/src/basis/libraries.bse/dgauss-dzvp-autoaux index b2db29692a..4db3cb3e82 100644 --- a/src/basis/libraries.bse/dgauss-dzvp-autoaux +++ b/src/basis/libraries.bse/dgauss-dzvp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-dzvp version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dgauss-dzvp2 b/src/basis/libraries.bse/dgauss-dzvp2 index 14a146ca4c..2d71de7c9c 100644 --- a/src/basis/libraries.bse/dgauss-dzvp2 +++ b/src/basis/libraries.bse/dgauss-dzvp2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-dzvp2 version number 0 # Description: VDZP Valence Double Zeta + Polarization designed for DFT # Role: orbital diff --git a/src/basis/libraries.bse/dgauss-dzvp2-autoaux b/src/basis/libraries.bse/dgauss-dzvp2-autoaux index 3d17982de2..62aabf9ee7 100644 --- a/src/basis/libraries.bse/dgauss-dzvp2-autoaux +++ b/src/basis/libraries.bse/dgauss-dzvp2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-dzvp2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dgauss-tzvp b/src/basis/libraries.bse/dgauss-tzvp index 329c29af08..1be687e4f0 100644 --- a/src/basis/libraries.bse/dgauss-tzvp +++ b/src/basis/libraries.bse/dgauss-tzvp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-tzvp version number 0 # Description: VTZP Valence Triple Zeta + Polarization designed for DFT # Role: orbital diff --git a/src/basis/libraries.bse/dgauss-tzvp-autoaux b/src/basis/libraries.bse/dgauss-tzvp-autoaux index 2fff72e68b..497569a89d 100644 --- a/src/basis/libraries.bse/dgauss-tzvp-autoaux +++ b/src/basis/libraries.bse/dgauss-tzvp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dgauss-tzvp version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dhf-ecp b/src/basis/libraries.bse/dhf-ecp index 982af8a3e3..3af9d6af36 100644 --- a/src/basis/libraries.bse/dhf-ecp +++ b/src/basis/libraries.bse/dhf-ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-ECP version number 0 # Description: dhf-ECP # Role: orbital diff --git a/src/basis/libraries.bse/dhf-ecp-autoaux b/src/basis/libraries.bse/dhf-ecp-autoaux index e03b124d41..9034d522e5 100644 --- a/src/basis/libraries.bse/dhf-ecp-autoaux +++ b/src/basis/libraries.bse/dhf-ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dhf-qzvp b/src/basis/libraries.bse/dhf-qzvp index 63a79e2dbc..8c74e0d989 100644 --- a/src/basis/libraries.bse/dhf-qzvp +++ b/src/basis/libraries.bse/dhf-qzvp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-QZVP version number 0 # Description: dhf-QZVP # Role: orbital diff --git a/src/basis/libraries.bse/dhf-qzvp-autoaux b/src/basis/libraries.bse/dhf-qzvp-autoaux index 8af53ae2b9..5601bde026 100644 --- a/src/basis/libraries.bse/dhf-qzvp-autoaux +++ b/src/basis/libraries.bse/dhf-qzvp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-QZVP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dhf-qzvpp b/src/basis/libraries.bse/dhf-qzvpp index 21e7bbbdff..ee17e18a76 100644 --- a/src/basis/libraries.bse/dhf-qzvpp +++ b/src/basis/libraries.bse/dhf-qzvpp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-QZVPP version number 0 # Description: dhf-QZVPP # Role: orbital diff --git a/src/basis/libraries.bse/dhf-qzvpp-autoaux b/src/basis/libraries.bse/dhf-qzvpp-autoaux index 57b37612f3..ca79661506 100644 --- a/src/basis/libraries.bse/dhf-qzvpp-autoaux +++ b/src/basis/libraries.bse/dhf-qzvpp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-QZVPP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dhf-svp b/src/basis/libraries.bse/dhf-svp index b2f096c2d3..ea28fa9d57 100644 --- a/src/basis/libraries.bse/dhf-svp +++ b/src/basis/libraries.bse/dhf-svp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-SVP version number 0 # Description: dhf-SVP # Role: orbital diff --git a/src/basis/libraries.bse/dhf-svp-autoaux b/src/basis/libraries.bse/dhf-svp-autoaux index 866f920b36..1a8148c93e 100644 --- a/src/basis/libraries.bse/dhf-svp-autoaux +++ b/src/basis/libraries.bse/dhf-svp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-SVP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dhf-tzvp b/src/basis/libraries.bse/dhf-tzvp index 81636e76c9..b6dab3b3b1 100644 --- a/src/basis/libraries.bse/dhf-tzvp +++ b/src/basis/libraries.bse/dhf-tzvp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-TZVP version number 0 # Description: dhf-TZVP # Role: orbital diff --git a/src/basis/libraries.bse/dhf-tzvp-autoaux b/src/basis/libraries.bse/dhf-tzvp-autoaux index 9a403e541f..c7d4025f81 100644 --- a/src/basis/libraries.bse/dhf-tzvp-autoaux +++ b/src/basis/libraries.bse/dhf-tzvp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-TZVP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dhf-tzvpp b/src/basis/libraries.bse/dhf-tzvpp index d12d6743a5..b7e7e53f74 100644 --- a/src/basis/libraries.bse/dhf-tzvpp +++ b/src/basis/libraries.bse/dhf-tzvpp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-TZVPP version number 0 # Description: dhf-TZVPP # Role: orbital diff --git a/src/basis/libraries.bse/dhf-tzvpp-autoaux b/src/basis/libraries.bse/dhf-tzvpp-autoaux index 5bcdd389be..a8b09d4f84 100644 --- a/src/basis/libraries.bse/dhf-tzvpp-autoaux +++ b/src/basis/libraries.bse/dhf-tzvpp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # dhf-TZVPP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay b/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay index 84cb9ecca7..bfa7c85aa3 100644 --- a/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay +++ b/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZ + Double Rydberg (Dunning-Hay) version number 0 # Description: DZ2R Double Zeta + Double Rydberg Functions # Role: orbital diff --git a/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay-autoaux index 647b4bc1a8..536254e9af 100644 --- a/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/dz_+_double_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZ + Double Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dz_+_rydberg_dunning-hay b/src/basis/libraries.bse/dz_+_rydberg_dunning-hay index 1f79784ef7..66841f79e7 100644 --- a/src/basis/libraries.bse/dz_+_rydberg_dunning-hay +++ b/src/basis/libraries.bse/dz_+_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZ + Rydberg (Dunning-Hay) version number 0 # Description: DZ1R Double Zeta: 2 Functions/AO # Role: orbital diff --git a/src/basis/libraries.bse/dz_+_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/dz_+_rydberg_dunning-hay-autoaux index 4906ab00e4..08810af9c6 100644 --- a/src/basis/libraries.bse/dz_+_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/dz_+_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZ + Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dz_dunning-hay b/src/basis/libraries.bse/dz_dunning-hay index 7dc1026d51..ad78f60d6d 100644 --- a/src/basis/libraries.bse/dz_dunning-hay +++ b/src/basis/libraries.bse/dz_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZ (Dunning-Hay) version number 0 # Description: DZ Double Zeta: 2 Functions/AO # Role: orbital diff --git a/src/basis/libraries.bse/dz_dunning-hay-autoaux b/src/basis/libraries.bse/dz_dunning-hay-autoaux index aa0e546fa4..e639de17cc 100644 --- a/src/basis/libraries.bse/dz_dunning-hay-autoaux +++ b/src/basis/libraries.bse/dz_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZ (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay b/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay index 2ade5ec6de..6c914e7b9f 100644 --- a/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay +++ b/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZP + Diffuse (Dunning-Hay) version number 0 # Description: DZPD Double Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay-autoaux b/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay-autoaux index 60c018b463..359432a64c 100644 --- a/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay-autoaux +++ b/src/basis/libraries.bse/dzp_+_diffuse_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZP + Diffuse (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay b/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay index 3788bdd4cf..f6afa0f892 100644 --- a/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay +++ b/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZP + Rydberg (Dunning-Hay) version number 0 # Description: DZP1R Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay-autoaux index e7f7fb610b..e5c3d4a63a 100644 --- a/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/dzp_+_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZP + Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/dzp_dunning-hay b/src/basis/libraries.bse/dzp_dunning-hay index 01c12e5a74..639f23043a 100644 --- a/src/basis/libraries.bse/dzp_dunning-hay +++ b/src/basis/libraries.bse/dzp_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZP (Dunning-Hay) version number 0 # Description: DZP Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/dzp_dunning-hay-autoaux b/src/basis/libraries.bse/dzp_dunning-hay-autoaux index dd262fe814..34f8ea0698 100644 --- a/src/basis/libraries.bse/dzp_dunning-hay-autoaux +++ b/src/basis/libraries.bse/dzp_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # DZP (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/fano-5z b/src/basis/libraries.bse/fano-5z index fa72c96f11..b74df5b3d4 100644 --- a/src/basis/libraries.bse/fano-5z +++ b/src/basis/libraries.bse/fano-5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-5Z version number 1 # Description: Frozen Atomic Natural Orbital - 5-Zeta # Role: orbital diff --git a/src/basis/libraries.bse/fano-5z-autoaux b/src/basis/libraries.bse/fano-5z-autoaux index f5a7257f46..fd597dd9bd 100644 --- a/src/basis/libraries.bse/fano-5z-autoaux +++ b/src/basis/libraries.bse/fano-5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-5Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/fano-6z b/src/basis/libraries.bse/fano-6z index 63b66a1e2c..68edf1387d 100644 --- a/src/basis/libraries.bse/fano-6z +++ b/src/basis/libraries.bse/fano-6z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-6Z version number 1 # Description: Frozen Atomic Natural Orbital - 6-Zeta # Role: orbital diff --git a/src/basis/libraries.bse/fano-6z-autoaux b/src/basis/libraries.bse/fano-6z-autoaux index 6f437a1d6b..fa4247b55e 100644 --- a/src/basis/libraries.bse/fano-6z-autoaux +++ b/src/basis/libraries.bse/fano-6z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-6Z version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/fano-dz b/src/basis/libraries.bse/fano-dz index 40a9cb6463..12c5d9678c 100644 --- a/src/basis/libraries.bse/fano-dz +++ b/src/basis/libraries.bse/fano-dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-DZ version number 1 # Description: Frozen Atomic Natural Orbital - Double Zeta # Role: orbital diff --git a/src/basis/libraries.bse/fano-dz-autoaux b/src/basis/libraries.bse/fano-dz-autoaux index 801608b09c..a2f43ad52f 100644 --- a/src/basis/libraries.bse/fano-dz-autoaux +++ b/src/basis/libraries.bse/fano-dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-DZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/fano-qz b/src/basis/libraries.bse/fano-qz index d77dad105a..53c8f89137 100644 --- a/src/basis/libraries.bse/fano-qz +++ b/src/basis/libraries.bse/fano-qz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-QZ version number 1 # Description: Frozen Atomic Natural Orbital - Quadruple Zeta # Role: orbital diff --git a/src/basis/libraries.bse/fano-qz-autoaux b/src/basis/libraries.bse/fano-qz-autoaux index 71244268c0..fee7d32695 100644 --- a/src/basis/libraries.bse/fano-qz-autoaux +++ b/src/basis/libraries.bse/fano-qz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-QZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/fano-tz b/src/basis/libraries.bse/fano-tz index 390d2ce96e..4d27cd73c4 100644 --- a/src/basis/libraries.bse/fano-tz +++ b/src/basis/libraries.bse/fano-tz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-TZ version number 1 # Description: Frozen Atomic Natural Orbital - Triple Zeta # Role: orbital diff --git a/src/basis/libraries.bse/fano-tz-autoaux b/src/basis/libraries.bse/fano-tz-autoaux index 218ccf2164..30f16b33d9 100644 --- a/src/basis/libraries.bse/fano-tz-autoaux +++ b/src/basis/libraries.bse/fano-tz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # FANO-TZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbs-5 b/src/basis/libraries.bse/hgbs-5 index a08c6095bb..51b07195e5 100644 --- a/src/basis/libraries.bse/hgbs-5 +++ b/src/basis/libraries.bse/hgbs-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBS-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} without polarization # Role: orbital diff --git a/src/basis/libraries.bse/hgbs-5-autoaux b/src/basis/libraries.bse/hgbs-5-autoaux index fd614c8479..3e7532e115 100644 --- a/src/basis/libraries.bse/hgbs-5-autoaux +++ b/src/basis/libraries.bse/hgbs-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBS-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbs-7 b/src/basis/libraries.bse/hgbs-7 index e7fce088e6..47962fccf3 100644 --- a/src/basis/libraries.bse/hgbs-7 +++ b/src/basis/libraries.bse/hgbs-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBS-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} without polarization # Role: orbital diff --git a/src/basis/libraries.bse/hgbs-7-autoaux b/src/basis/libraries.bse/hgbs-7-autoaux index f0aa34a200..3c3b0634f3 100644 --- a/src/basis/libraries.bse/hgbs-7-autoaux +++ b/src/basis/libraries.bse/hgbs-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBS-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbs-9 b/src/basis/libraries.bse/hgbs-9 index 96bf96508b..4cb645e8de 100644 --- a/src/basis/libraries.bse/hgbs-9 +++ b/src/basis/libraries.bse/hgbs-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBS-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} without polarization # Role: orbital diff --git a/src/basis/libraries.bse/hgbs-9-autoaux b/src/basis/libraries.bse/hgbs-9-autoaux index d9ed59d49a..07e65366aa 100644 --- a/src/basis/libraries.bse/hgbs-9-autoaux +++ b/src/basis/libraries.bse/hgbs-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBS-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp1-5 b/src/basis/libraries.bse/hgbsp1-5 index 9d1be5d803..78b0cb5e4a 100644 --- a/src/basis/libraries.bse/hgbsp1-5 +++ b/src/basis/libraries.bse/hgbsp1-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP1-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} with 1 polarization shell # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp1-5-autoaux b/src/basis/libraries.bse/hgbsp1-5-autoaux index 2cd1bf50b2..1128c29441 100644 --- a/src/basis/libraries.bse/hgbsp1-5-autoaux +++ b/src/basis/libraries.bse/hgbsp1-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP1-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp1-7 b/src/basis/libraries.bse/hgbsp1-7 index e71601f2b6..884a2f5191 100644 --- a/src/basis/libraries.bse/hgbsp1-7 +++ b/src/basis/libraries.bse/hgbsp1-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP1-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} with 1 polarization shell # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp1-7-autoaux b/src/basis/libraries.bse/hgbsp1-7-autoaux index 4fe2558ca2..87eff7a0b7 100644 --- a/src/basis/libraries.bse/hgbsp1-7-autoaux +++ b/src/basis/libraries.bse/hgbsp1-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP1-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp1-9 b/src/basis/libraries.bse/hgbsp1-9 index 3577c86bcf..d0cc867e61 100644 --- a/src/basis/libraries.bse/hgbsp1-9 +++ b/src/basis/libraries.bse/hgbsp1-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP1-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} with 1 polarization shell # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp1-9-autoaux b/src/basis/libraries.bse/hgbsp1-9-autoaux index 12af927c29..aad4da459e 100644 --- a/src/basis/libraries.bse/hgbsp1-9-autoaux +++ b/src/basis/libraries.bse/hgbsp1-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP1-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp2-5 b/src/basis/libraries.bse/hgbsp2-5 index 24ecad53a8..0b59a2be55 100644 --- a/src/basis/libraries.bse/hgbsp2-5 +++ b/src/basis/libraries.bse/hgbsp2-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP2-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} with 2 polarization shells # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp2-5-autoaux b/src/basis/libraries.bse/hgbsp2-5-autoaux index e31231d7fd..bd2425a5a3 100644 --- a/src/basis/libraries.bse/hgbsp2-5-autoaux +++ b/src/basis/libraries.bse/hgbsp2-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP2-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp2-7 b/src/basis/libraries.bse/hgbsp2-7 index 9c503c9d17..fb134f75c6 100644 --- a/src/basis/libraries.bse/hgbsp2-7 +++ b/src/basis/libraries.bse/hgbsp2-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP2-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} with 2 polarization shells # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp2-7-autoaux b/src/basis/libraries.bse/hgbsp2-7-autoaux index 9737d33a2e..93fd309ce8 100644 --- a/src/basis/libraries.bse/hgbsp2-7-autoaux +++ b/src/basis/libraries.bse/hgbsp2-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP2-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp2-9 b/src/basis/libraries.bse/hgbsp2-9 index b0d45b3445..f58324b198 100644 --- a/src/basis/libraries.bse/hgbsp2-9 +++ b/src/basis/libraries.bse/hgbsp2-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP2-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} with 2 polarization shells # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp2-9-autoaux b/src/basis/libraries.bse/hgbsp2-9-autoaux index bff79f59cc..ccfb790147 100644 --- a/src/basis/libraries.bse/hgbsp2-9-autoaux +++ b/src/basis/libraries.bse/hgbsp2-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP2-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp3-5 b/src/basis/libraries.bse/hgbsp3-5 index f85bcae454..1194690cec 100644 --- a/src/basis/libraries.bse/hgbsp3-5 +++ b/src/basis/libraries.bse/hgbsp3-5 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP3-5 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-5} with 3 polarization shells # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp3-5-autoaux b/src/basis/libraries.bse/hgbsp3-5-autoaux index 9a55bb2419..1751b81319 100644 --- a/src/basis/libraries.bse/hgbsp3-5-autoaux +++ b/src/basis/libraries.bse/hgbsp3-5-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP3-5 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp3-7 b/src/basis/libraries.bse/hgbsp3-7 index f8626cc95c..97a60c73ab 100644 --- a/src/basis/libraries.bse/hgbsp3-7 +++ b/src/basis/libraries.bse/hgbsp3-7 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP3-7 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-7} with 3 polarization shells # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp3-7-autoaux b/src/basis/libraries.bse/hgbsp3-7-autoaux index 7e03a76b18..ac9d76b91c 100644 --- a/src/basis/libraries.bse/hgbsp3-7-autoaux +++ b/src/basis/libraries.bse/hgbsp3-7-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP3-7 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/hgbsp3-9 b/src/basis/libraries.bse/hgbsp3-9 index 71e735928b..1c70718767 100644 --- a/src/basis/libraries.bse/hgbsp3-9 +++ b/src/basis/libraries.bse/hgbsp3-9 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP3-9 version number 1 # Description: Hydrogenic Gaussian basis set formed at tolerance 10^{-9} with 3 polarization shells # Role: orbital diff --git a/src/basis/libraries.bse/hgbsp3-9-autoaux b/src/basis/libraries.bse/hgbsp3-9-autoaux index ec9ac1a58b..7b18122ccb 100644 --- a/src/basis/libraries.bse/hgbsp3-9-autoaux +++ b/src/basis/libraries.bse/hgbsp3-9-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # HGBSP3-9 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/iglo-ii b/src/basis/libraries.bse/iglo-ii index eae065732c..26d511e076 100644 --- a/src/basis/libraries.bse/iglo-ii +++ b/src/basis/libraries.bse/iglo-ii @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # IGLO-II version number 0 # Description: VDZP Valence Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/iglo-ii-autoaux b/src/basis/libraries.bse/iglo-ii-autoaux index ca722db40e..666585fef9 100644 --- a/src/basis/libraries.bse/iglo-ii-autoaux +++ b/src/basis/libraries.bse/iglo-ii-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # IGLO-II version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/iglo-iii b/src/basis/libraries.bse/iglo-iii index 42f2beb8e8..7f69bb7f28 100644 --- a/src/basis/libraries.bse/iglo-iii +++ b/src/basis/libraries.bse/iglo-iii @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # IGLO-III version number 0 # Description: VTZP Valence Triple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/iglo-iii-autoaux b/src/basis/libraries.bse/iglo-iii-autoaux index 70b47b9106..ea67ed1276 100644 --- a/src/basis/libraries.bse/iglo-iii-autoaux +++ b/src/basis/libraries.bse/iglo-iii-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # IGLO-III version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jgauss-dzp b/src/basis/libraries.bse/jgauss-dzp index 81d0f4b8f5..48d6d2b37b 100644 --- a/src/basis/libraries.bse/jgauss-dzp +++ b/src/basis/libraries.bse/jgauss-dzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-dzp version number 1 # Description: dzp basis of Schafer/Horn/Ahlrichs/Gauss # Role: orbital @@ -33,7 +33,7 @@ # References for the basis set # # H-Li,B-Ne,Al-Cl,Br -# {} basis of Schafer/Horn/Ahlrichs/Gauss +# dzp basis of Schafer/Horn/Ahlrichs/Gauss # schafer1992a gauss1993a # # diff --git a/src/basis/libraries.bse/jgauss-dzp-autoaux b/src/basis/libraries.bse/jgauss-dzp-autoaux index 6280f28d98..75738a28b6 100644 --- a/src/basis/libraries.bse/jgauss-dzp-autoaux +++ b/src/basis/libraries.bse/jgauss-dzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-dzp version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jgauss-qz2p b/src/basis/libraries.bse/jgauss-qz2p index 2efc7c288c..0023f37e9d 100644 --- a/src/basis/libraries.bse/jgauss-qz2p +++ b/src/basis/libraries.bse/jgauss-qz2p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-qz2p version number 1 # Description: qz2p basis of Schafer/Horn/Ahlrichs/Gauss # Role: orbital @@ -33,7 +33,7 @@ # References for the basis set # # H,B-F,Si-Cl -# {} basis of Schafer/Horn/Ahlrichs/Gauss +# qz2p basis of Schafer/Horn/Ahlrichs/Gauss # schafer1992a gauss1993a # # diff --git a/src/basis/libraries.bse/jgauss-qz2p-autoaux b/src/basis/libraries.bse/jgauss-qz2p-autoaux index cf16b2190f..7b5a58e629 100644 --- a/src/basis/libraries.bse/jgauss-qz2p-autoaux +++ b/src/basis/libraries.bse/jgauss-qz2p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-qz2p version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jgauss-qzp b/src/basis/libraries.bse/jgauss-qzp index ef2957d54b..6b02793a71 100644 --- a/src/basis/libraries.bse/jgauss-qzp +++ b/src/basis/libraries.bse/jgauss-qzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-qzp version number 1 # Description: qzp basis of Schafer/Horn/Ahlrichs/Gauss # Role: orbital @@ -33,7 +33,7 @@ # References for the basis set # # H,B-Ne,Cl -# {} basis of Schafer/Horn/Ahlrichs/Gauss +# qzp basis of Schafer/Horn/Ahlrichs/Gauss # schafer1992a gauss1993a # # diff --git a/src/basis/libraries.bse/jgauss-qzp-autoaux b/src/basis/libraries.bse/jgauss-qzp-autoaux index d4c2ddbd7c..e29020ddb7 100644 --- a/src/basis/libraries.bse/jgauss-qzp-autoaux +++ b/src/basis/libraries.bse/jgauss-qzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-qzp version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jgauss-tzp1 b/src/basis/libraries.bse/jgauss-tzp1 index 5056a705a6..04c269b89f 100644 --- a/src/basis/libraries.bse/jgauss-tzp1 +++ b/src/basis/libraries.bse/jgauss-tzp1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-tzp1 version number 1 # Description: tzp1 basis of Schafer/Horn/Ahlrichs/Gauss # Role: orbital @@ -33,7 +33,7 @@ # References for the basis set # # H-Li,B-Ne,Al-Cl -# {} basis of Schafer/Horn/Ahlrichs/Gauss +# tzp1 basis of Schafer/Horn/Ahlrichs/Gauss # schafer1992a gauss1993a # # diff --git a/src/basis/libraries.bse/jgauss-tzp1-autoaux b/src/basis/libraries.bse/jgauss-tzp1-autoaux index df4187a57d..2de7b33c03 100644 --- a/src/basis/libraries.bse/jgauss-tzp1-autoaux +++ b/src/basis/libraries.bse/jgauss-tzp1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-tzp1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jgauss-tzp2 b/src/basis/libraries.bse/jgauss-tzp2 index 421b991fe2..c637cd4706 100644 --- a/src/basis/libraries.bse/jgauss-tzp2 +++ b/src/basis/libraries.bse/jgauss-tzp2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-tzp2 version number 1 # Description: tzp2 basis of Schafer/Horn/Ahlrichs/Gauss # Role: orbital @@ -33,7 +33,7 @@ # References for the basis set # # H-Li,B-Ne,Al-Cl -# {} basis of Schafer/Horn/Ahlrichs/Gauss +# tzp2 basis of Schafer/Horn/Ahlrichs/Gauss # schafer1992a gauss1993a # # diff --git a/src/basis/libraries.bse/jgauss-tzp2-autoaux b/src/basis/libraries.bse/jgauss-tzp2-autoaux index 7cf189482f..4b373a19c7 100644 --- a/src/basis/libraries.bse/jgauss-tzp2-autoaux +++ b/src/basis/libraries.bse/jgauss-tzp2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jgauss-tzp2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-5zp b/src/basis/libraries.bse/jorge-5zp index 96cb8b484c..3751e5c8e5 100644 --- a/src/basis/libraries.bse/jorge-5zp +++ b/src/basis/libraries.bse/jorge-5zp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-5ZP version number 1 # Description: 5ZP: 5 zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-5zp-autoaux b/src/basis/libraries.bse/jorge-5zp-autoaux index e88eb0e821..3cc81ffa56 100644 --- a/src/basis/libraries.bse/jorge-5zp-autoaux +++ b/src/basis/libraries.bse/jorge-5zp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-5ZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-5zp-dkh b/src/basis/libraries.bse/jorge-5zp-dkh index 0f3e437e3b..835f63e2c4 100644 --- a/src/basis/libraries.bse/jorge-5zp-dkh +++ b/src/basis/libraries.bse/jorge-5zp-dkh @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-5ZP-DKH version number 1 # Description: 5ZP-DKH: 5 zeta valence quality plus polarization (DKH) # Role: orbital diff --git a/src/basis/libraries.bse/jorge-5zp-dkh-autoaux b/src/basis/libraries.bse/jorge-5zp-dkh-autoaux index 42beae0ed5..ab2407417d 100644 --- a/src/basis/libraries.bse/jorge-5zp-dkh-autoaux +++ b/src/basis/libraries.bse/jorge-5zp-dkh-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-5ZP-DKH version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-6zp b/src/basis/libraries.bse/jorge-6zp index a1d9499941..915cb5f02b 100644 --- a/src/basis/libraries.bse/jorge-6zp +++ b/src/basis/libraries.bse/jorge-6zp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-6ZP version number 1 # Description: 6ZP: 6 zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-6zp-autoaux b/src/basis/libraries.bse/jorge-6zp-autoaux index 9427bf51c0..ef0c2c1a31 100644 --- a/src/basis/libraries.bse/jorge-6zp-autoaux +++ b/src/basis/libraries.bse/jorge-6zp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-6ZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-6zp-dkh b/src/basis/libraries.bse/jorge-6zp-dkh index 408b8bf33b..8c0a67b441 100644 --- a/src/basis/libraries.bse/jorge-6zp-dkh +++ b/src/basis/libraries.bse/jorge-6zp-dkh @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-6ZP-DKH version number 1 # Description: 6ZP-DKH: 6 zeta valence quality plus polarization (DKH) # Role: orbital diff --git a/src/basis/libraries.bse/jorge-6zp-dkh-autoaux b/src/basis/libraries.bse/jorge-6zp-dkh-autoaux index 92c890914e..01f6be0b9c 100644 --- a/src/basis/libraries.bse/jorge-6zp-dkh-autoaux +++ b/src/basis/libraries.bse/jorge-6zp-dkh-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-6ZP-DKH version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-a5zp b/src/basis/libraries.bse/jorge-a5zp index b6ccb0879e..73fc2969ea 100644 --- a/src/basis/libraries.bse/jorge-a5zp +++ b/src/basis/libraries.bse/jorge-a5zp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-A5ZP version number 1 # Description: A5ZP: Augmented 5 zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-a5zp-autoaux b/src/basis/libraries.bse/jorge-a5zp-autoaux index a3bcbff88c..4f8ef12f23 100644 --- a/src/basis/libraries.bse/jorge-a5zp-autoaux +++ b/src/basis/libraries.bse/jorge-a5zp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-A5ZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-adzp b/src/basis/libraries.bse/jorge-adzp index f06757ace5..e6ba3ea91f 100644 --- a/src/basis/libraries.bse/jorge-adzp +++ b/src/basis/libraries.bse/jorge-adzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-ADZP version number 1 # Description: ADZP: Augmented double zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-adzp-autoaux b/src/basis/libraries.bse/jorge-adzp-autoaux index f28ad67f1a..4167c8df18 100644 --- a/src/basis/libraries.bse/jorge-adzp-autoaux +++ b/src/basis/libraries.bse/jorge-adzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-ADZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-aqzp b/src/basis/libraries.bse/jorge-aqzp index 17ceec365d..dfd46abf44 100644 --- a/src/basis/libraries.bse/jorge-aqzp +++ b/src/basis/libraries.bse/jorge-aqzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-AQZP version number 1 # Description: AQZP: Augmented quadruple zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-aqzp-autoaux b/src/basis/libraries.bse/jorge-aqzp-autoaux index 7811350ae7..9650094213 100644 --- a/src/basis/libraries.bse/jorge-aqzp-autoaux +++ b/src/basis/libraries.bse/jorge-aqzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-AQZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-atzp b/src/basis/libraries.bse/jorge-atzp index 72a1960c9f..a05cc4e66a 100644 --- a/src/basis/libraries.bse/jorge-atzp +++ b/src/basis/libraries.bse/jorge-atzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-ATZP version number 1 # Description: ATZP: Augmented triple zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-atzp-autoaux b/src/basis/libraries.bse/jorge-atzp-autoaux index cb6dd8282f..195534bb78 100644 --- a/src/basis/libraries.bse/jorge-atzp-autoaux +++ b/src/basis/libraries.bse/jorge-atzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-ATZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-dzp b/src/basis/libraries.bse/jorge-dzp index 5de1afa732..613faa6a21 100644 --- a/src/basis/libraries.bse/jorge-dzp +++ b/src/basis/libraries.bse/jorge-dzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-DZP version number 1 # Description: DZP: Double zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-dzp-autoaux b/src/basis/libraries.bse/jorge-dzp-autoaux index 2fae9ae240..c74f9f2c26 100644 --- a/src/basis/libraries.bse/jorge-dzp-autoaux +++ b/src/basis/libraries.bse/jorge-dzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-DZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-dzp-dkh b/src/basis/libraries.bse/jorge-dzp-dkh index 91b69504cc..0ca7feb2fb 100644 --- a/src/basis/libraries.bse/jorge-dzp-dkh +++ b/src/basis/libraries.bse/jorge-dzp-dkh @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-DZP-DKH version number 1 # Description: DZP-DKH: Double zeta valence quality plus polarization (DKH) # Role: orbital diff --git a/src/basis/libraries.bse/jorge-dzp-dkh-autoaux b/src/basis/libraries.bse/jorge-dzp-dkh-autoaux index 368f0572dd..09af5219fb 100644 --- a/src/basis/libraries.bse/jorge-dzp-dkh-autoaux +++ b/src/basis/libraries.bse/jorge-dzp-dkh-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-DZP-DKH version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-qzp b/src/basis/libraries.bse/jorge-qzp index 7a2e65dba6..7eb0d47ebd 100644 --- a/src/basis/libraries.bse/jorge-qzp +++ b/src/basis/libraries.bse/jorge-qzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-QZP version number 1 # Description: QZP: Quadruple zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-qzp-autoaux b/src/basis/libraries.bse/jorge-qzp-autoaux index f288e6d162..72fe1c2e40 100644 --- a/src/basis/libraries.bse/jorge-qzp-autoaux +++ b/src/basis/libraries.bse/jorge-qzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-QZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-qzp-dkh b/src/basis/libraries.bse/jorge-qzp-dkh index 7cadb5b505..62687f7d92 100644 --- a/src/basis/libraries.bse/jorge-qzp-dkh +++ b/src/basis/libraries.bse/jorge-qzp-dkh @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-QZP-DKH version number 1 # Description: QZP-DKH: Quadruple zeta valence quality plus polarization (DKH) # Role: orbital diff --git a/src/basis/libraries.bse/jorge-qzp-dkh-autoaux b/src/basis/libraries.bse/jorge-qzp-dkh-autoaux index df17cd3694..7598468611 100644 --- a/src/basis/libraries.bse/jorge-qzp-dkh-autoaux +++ b/src/basis/libraries.bse/jorge-qzp-dkh-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-QZP-DKH version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-tzp b/src/basis/libraries.bse/jorge-tzp index 4af3de8330..6fcb966998 100644 --- a/src/basis/libraries.bse/jorge-tzp +++ b/src/basis/libraries.bse/jorge-tzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-TZP version number 1 # Description: TZP: Triple zeta valence quality plus polarization # Role: orbital diff --git a/src/basis/libraries.bse/jorge-tzp-autoaux b/src/basis/libraries.bse/jorge-tzp-autoaux index e601f35f5b..3b5f2ce397 100644 --- a/src/basis/libraries.bse/jorge-tzp-autoaux +++ b/src/basis/libraries.bse/jorge-tzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-TZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jorge-tzp-dkh b/src/basis/libraries.bse/jorge-tzp-dkh index 59ff369ab0..9e0810c0ff 100644 --- a/src/basis/libraries.bse/jorge-tzp-dkh +++ b/src/basis/libraries.bse/jorge-tzp-dkh @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-TZP-DKH version number 1 # Description: TZP-DKH: Triple zeta valence quality plus polarization (DKH) # Role: orbital diff --git a/src/basis/libraries.bse/jorge-tzp-dkh-autoaux b/src/basis/libraries.bse/jorge-tzp-dkh-autoaux index baaf04b7ea..4ba1c43a5b 100644 --- a/src/basis/libraries.bse/jorge-tzp-dkh-autoaux +++ b/src/basis/libraries.bse/jorge-tzp-dkh-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jorge-TZP-DKH version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jul-cc-pvd+dz b/src/basis/libraries.bse/jul-cc-pvd+dz index 0b0b330caf..bc2a448e7e 100644 --- a/src/basis/libraries.bse/jul-cc-pvd+dz +++ b/src/basis/libraries.bse/jul-cc-pvd+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jul-cc-pV(D+d)Z version number 0 # Description: jul-cc-pV(D+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/jul-cc-pvd+dz-autoaux b/src/basis/libraries.bse/jul-cc-pvd+dz-autoaux index 66c05f2b0b..8cd0ad5e41 100644 --- a/src/basis/libraries.bse/jul-cc-pvd+dz-autoaux +++ b/src/basis/libraries.bse/jul-cc-pvd+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jul-cc-pV(D+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jul-cc-pvq+dz b/src/basis/libraries.bse/jul-cc-pvq+dz index 47afec679b..1be4a66c6f 100644 --- a/src/basis/libraries.bse/jul-cc-pvq+dz +++ b/src/basis/libraries.bse/jul-cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jul-cc-pV(Q+d)Z version number 0 # Description: jul-cc-pV(Q+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/jul-cc-pvq+dz-autoaux b/src/basis/libraries.bse/jul-cc-pvq+dz-autoaux index 32448c879d..8047545df6 100644 --- a/src/basis/libraries.bse/jul-cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/jul-cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jul-cc-pV(Q+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jul-cc-pvt+dz b/src/basis/libraries.bse/jul-cc-pvt+dz index 5fefcf0f96..e1f4bfe1c8 100644 --- a/src/basis/libraries.bse/jul-cc-pvt+dz +++ b/src/basis/libraries.bse/jul-cc-pvt+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jul-cc-pV(T+d)Z version number 0 # Description: jul-cc-pV(T+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/jul-cc-pvt+dz-autoaux b/src/basis/libraries.bse/jul-cc-pvt+dz-autoaux index 2d4036e548..96aacd5caa 100644 --- a/src/basis/libraries.bse/jul-cc-pvt+dz-autoaux +++ b/src/basis/libraries.bse/jul-cc-pvt+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jul-cc-pV(T+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jun-cc-pvd+dz b/src/basis/libraries.bse/jun-cc-pvd+dz index 6ad4e0270f..1698d1375f 100644 --- a/src/basis/libraries.bse/jun-cc-pvd+dz +++ b/src/basis/libraries.bse/jun-cc-pvd+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jun-cc-pV(D+d)Z version number 0 # Description: jun-cc-pV(D+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/jun-cc-pvd+dz-autoaux b/src/basis/libraries.bse/jun-cc-pvd+dz-autoaux index 20a044d5fd..e933c19467 100644 --- a/src/basis/libraries.bse/jun-cc-pvd+dz-autoaux +++ b/src/basis/libraries.bse/jun-cc-pvd+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jun-cc-pV(D+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jun-cc-pvq+dz b/src/basis/libraries.bse/jun-cc-pvq+dz index 87c1cda7ae..af6ebaac0e 100644 --- a/src/basis/libraries.bse/jun-cc-pvq+dz +++ b/src/basis/libraries.bse/jun-cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jun-cc-pV(Q+d)Z version number 0 # Description: jun-cc-pV(Q+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/jun-cc-pvq+dz-autoaux b/src/basis/libraries.bse/jun-cc-pvq+dz-autoaux index 6aa271b1cd..ef9c916027 100644 --- a/src/basis/libraries.bse/jun-cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/jun-cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jun-cc-pV(Q+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/jun-cc-pvt+dz b/src/basis/libraries.bse/jun-cc-pvt+dz index 2221259a7c..1b1339ccb7 100644 --- a/src/basis/libraries.bse/jun-cc-pvt+dz +++ b/src/basis/libraries.bse/jun-cc-pvt+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jun-cc-pV(T+d)Z version number 0 # Description: jun-cc-pV(T+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/jun-cc-pvt+dz-autoaux b/src/basis/libraries.bse/jun-cc-pvt+dz-autoaux index ed37bba74b..f8d04b61af 100644 --- a/src/basis/libraries.bse/jun-cc-pvt+dz-autoaux +++ b/src/basis/libraries.bse/jun-cc-pvt+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # jun-cc-pV(T+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/koga_unpolarized b/src/basis/libraries.bse/koga_unpolarized index f31246af37..3590bd55e8 100644 --- a/src/basis/libraries.bse/koga_unpolarized +++ b/src/basis/libraries.bse/koga_unpolarized @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Koga unpolarized version number 1 # Description: Non-relativistic unpolarized basis sets for atomic calculations, designed for use in uncontracted form # Role: orbital diff --git a/src/basis/libraries.bse/koga_unpolarized-autoaux b/src/basis/libraries.bse/koga_unpolarized-autoaux index f91092de01..48673aaab1 100644 --- a/src/basis/libraries.bse/koga_unpolarized-autoaux +++ b/src/basis/libraries.bse/koga_unpolarized-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Koga unpolarized version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl08 b/src/basis/libraries.bse/lanl08 index f4b0367e1d..b94f399e67 100644 --- a/src/basis/libraries.bse/lanl08 +++ b/src/basis/libraries.bse/lanl08 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08 version number 0 # Description: LANL08(uncontracted) # Role: orbital diff --git a/src/basis/libraries.bse/lanl08+ b/src/basis/libraries.bse/lanl08+ index 6971e68d97..8d6c60b0df 100644 --- a/src/basis/libraries.bse/lanl08+ +++ b/src/basis/libraries.bse/lanl08+ @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08+ version number 0 # Description: LANL08+ diffuse # Role: orbital diff --git a/src/basis/libraries.bse/lanl08+-autoaux b/src/basis/libraries.bse/lanl08+-autoaux index cddb38e63a..3c925e1d1a 100644 --- a/src/basis/libraries.bse/lanl08+-autoaux +++ b/src/basis/libraries.bse/lanl08+-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08+ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl08-autoaux b/src/basis/libraries.bse/lanl08-autoaux index 843904cd65..7206266aad 100644 --- a/src/basis/libraries.bse/lanl08-autoaux +++ b/src/basis/libraries.bse/lanl08-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl08d b/src/basis/libraries.bse/lanl08d index 075b7b0ef6..6ee416a4f1 100644 --- a/src/basis/libraries.bse/lanl08d +++ b/src/basis/libraries.bse/lanl08d @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08(d) version number 0 # Description: LANL08 + polarization and diffuse # Role: orbital diff --git a/src/basis/libraries.bse/lanl08d-autoaux b/src/basis/libraries.bse/lanl08d-autoaux index 2b9a4ac084..1625f59300 100644 --- a/src/basis/libraries.bse/lanl08d-autoaux +++ b/src/basis/libraries.bse/lanl08d-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08(d) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl08f b/src/basis/libraries.bse/lanl08f index cd957d8f32..65bb564a75 100644 --- a/src/basis/libraries.bse/lanl08f +++ b/src/basis/libraries.bse/lanl08f @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08(f) version number 0 # Description: LANL08(f) # Role: orbital diff --git a/src/basis/libraries.bse/lanl08f-autoaux b/src/basis/libraries.bse/lanl08f-autoaux index ec22664d0b..411f2ae579 100644 --- a/src/basis/libraries.bse/lanl08f-autoaux +++ b/src/basis/libraries.bse/lanl08f-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL08(f) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl2dz b/src/basis/libraries.bse/lanl2dz index 3b16bb02bb..209a09359b 100644 --- a/src/basis/libraries.bse/lanl2dz +++ b/src/basis/libraries.bse/lanl2dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2DZ version number 0 # Description: LANL2DZ # Role: orbital diff --git a/src/basis/libraries.bse/lanl2dz-autoaux b/src/basis/libraries.bse/lanl2dz-autoaux index 3c61551cc8..99ac5accd4 100644 --- a/src/basis/libraries.bse/lanl2dz-autoaux +++ b/src/basis/libraries.bse/lanl2dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2DZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl2dz_ecp b/src/basis/libraries.bse/lanl2dz_ecp index 5d96060a47..fa16db8b22 100644 --- a/src/basis/libraries.bse/lanl2dz_ecp +++ b/src/basis/libraries.bse/lanl2dz_ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2DZ ECP version number 0 # Description: LANL2DZ ECP # Role: orbital diff --git a/src/basis/libraries.bse/lanl2dz_ecp-autoaux b/src/basis/libraries.bse/lanl2dz_ecp-autoaux index ffda17075e..d9f6fa9e82 100644 --- a/src/basis/libraries.bse/lanl2dz_ecp-autoaux +++ b/src/basis/libraries.bse/lanl2dz_ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2DZ ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl2dzdp b/src/basis/libraries.bse/lanl2dzdp index 61f397acdd..4c9e23bf0b 100644 --- a/src/basis/libraries.bse/lanl2dzdp +++ b/src/basis/libraries.bse/lanl2dzdp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2DZdp version number 0 # Description: DZP Double Zeta + Polarization + Diffuse ECP # Role: orbital diff --git a/src/basis/libraries.bse/lanl2dzdp-autoaux b/src/basis/libraries.bse/lanl2dzdp-autoaux index f8f68d372e..13e827fbe7 100644 --- a/src/basis/libraries.bse/lanl2dzdp-autoaux +++ b/src/basis/libraries.bse/lanl2dzdp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2DZdp version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl2tz b/src/basis/libraries.bse/lanl2tz index 42cd056759..fd2a2654ce 100644 --- a/src/basis/libraries.bse/lanl2tz +++ b/src/basis/libraries.bse/lanl2tz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2TZ version number 0 # Description: LANL2TZ # Role: orbital diff --git a/src/basis/libraries.bse/lanl2tz+ b/src/basis/libraries.bse/lanl2tz+ index 1ba0f94028..641704b68f 100644 --- a/src/basis/libraries.bse/lanl2tz+ +++ b/src/basis/libraries.bse/lanl2tz+ @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2TZ+ version number 0 # Description: LANL2TZ+ with diffuse d functions # Role: orbital diff --git a/src/basis/libraries.bse/lanl2tz+-autoaux b/src/basis/libraries.bse/lanl2tz+-autoaux index f5f0a5c10f..d33d3592b9 100644 --- a/src/basis/libraries.bse/lanl2tz+-autoaux +++ b/src/basis/libraries.bse/lanl2tz+-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2TZ+ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl2tz-autoaux b/src/basis/libraries.bse/lanl2tz-autoaux index 3ef2920f2a..184f2023f1 100644 --- a/src/basis/libraries.bse/lanl2tz-autoaux +++ b/src/basis/libraries.bse/lanl2tz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2TZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/lanl2tzf b/src/basis/libraries.bse/lanl2tzf index a42433443c..ef673d35c6 100644 --- a/src/basis/libraries.bse/lanl2tzf +++ b/src/basis/libraries.bse/lanl2tzf @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2TZ(f) version number 0 # Description: LANL2TZ(f) # Role: orbital diff --git a/src/basis/libraries.bse/lanl2tzf-autoaux b/src/basis/libraries.bse/lanl2tzf-autoaux index 4383375cf1..9fedd81f13 100644 --- a/src/basis/libraries.bse/lanl2tzf-autoaux +++ b/src/basis/libraries.bse/lanl2tzf-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # LANL2TZ(f) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/m6-31g b/src/basis/libraries.bse/m6-31g index 423b4b4aa0..a7230c7669 100644 --- a/src/basis/libraries.bse/m6-31g +++ b/src/basis/libraries.bse/m6-31g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # m6-31G version number 0 # Description: m6-31G # Role: orbital diff --git a/src/basis/libraries.bse/m6-31g-autoaux b/src/basis/libraries.bse/m6-31g-autoaux index 0481a9f77c..c205659cef 100644 --- a/src/basis/libraries.bse/m6-31g-autoaux +++ b/src/basis/libraries.bse/m6-31g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # m6-31G version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/m6-31gs b/src/basis/libraries.bse/m6-31gs index 5fbe6d75f1..349d626a88 100644 --- a/src/basis/libraries.bse/m6-31gs +++ b/src/basis/libraries.bse/m6-31gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # m6-31G* version number 0 # Description: m6-31G* # Role: orbital diff --git a/src/basis/libraries.bse/m6-31gs-autoaux b/src/basis/libraries.bse/m6-31gs-autoaux index 61658f685d..5df471843d 100644 --- a/src/basis/libraries.bse/m6-31gs-autoaux +++ b/src/basis/libraries.bse/m6-31gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # m6-31G* version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/maug-cc-pvd+dz b/src/basis/libraries.bse/maug-cc-pvd+dz index 6830e7349e..673e99690a 100644 --- a/src/basis/libraries.bse/maug-cc-pvd+dz +++ b/src/basis/libraries.bse/maug-cc-pvd+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # maug-cc-pV(D+d)Z version number 0 # Description: jun-cc-pV(D+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/maug-cc-pvd+dz-autoaux b/src/basis/libraries.bse/maug-cc-pvd+dz-autoaux index faf266e2ed..71377fb7cd 100644 --- a/src/basis/libraries.bse/maug-cc-pvd+dz-autoaux +++ b/src/basis/libraries.bse/maug-cc-pvd+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # maug-cc-pV(D+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/maug-cc-pvq+dz b/src/basis/libraries.bse/maug-cc-pvq+dz index 98c23e15fb..6993e905fd 100644 --- a/src/basis/libraries.bse/maug-cc-pvq+dz +++ b/src/basis/libraries.bse/maug-cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # maug-cc-pV(Q+d)Z version number 0 # Description: apr-cc-pV(Q+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/maug-cc-pvq+dz-autoaux b/src/basis/libraries.bse/maug-cc-pvq+dz-autoaux index dfc27577d5..3a4bb9fc8e 100644 --- a/src/basis/libraries.bse/maug-cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/maug-cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # maug-cc-pV(Q+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/maug-cc-pvt+dz b/src/basis/libraries.bse/maug-cc-pvt+dz index 87b28bd28a..8c40e42cf0 100644 --- a/src/basis/libraries.bse/maug-cc-pvt+dz +++ b/src/basis/libraries.bse/maug-cc-pvt+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # maug-cc-pV(T+d)Z version number 0 # Description: may-cc-pV(T+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/maug-cc-pvt+dz-autoaux b/src/basis/libraries.bse/maug-cc-pvt+dz-autoaux index 4c489429bc..f9bccab40e 100644 --- a/src/basis/libraries.bse/maug-cc-pvt+dz-autoaux +++ b/src/basis/libraries.bse/maug-cc-pvt+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # maug-cc-pV(T+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/may-cc-pvq+dz b/src/basis/libraries.bse/may-cc-pvq+dz index 6a8328d992..756cbaac96 100644 --- a/src/basis/libraries.bse/may-cc-pvq+dz +++ b/src/basis/libraries.bse/may-cc-pvq+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # may-cc-pV(Q+d)Z version number 0 # Description: may-cc-pV(Q+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/may-cc-pvq+dz-autoaux b/src/basis/libraries.bse/may-cc-pvq+dz-autoaux index a3d5bde7c2..a3a4fdbfcc 100644 --- a/src/basis/libraries.bse/may-cc-pvq+dz-autoaux +++ b/src/basis/libraries.bse/may-cc-pvq+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # may-cc-pV(Q+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/may-cc-pvt+dz b/src/basis/libraries.bse/may-cc-pvt+dz index 8480aa9abd..c0abffac8c 100644 --- a/src/basis/libraries.bse/may-cc-pvt+dz +++ b/src/basis/libraries.bse/may-cc-pvt+dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # may-cc-pV(T+d)Z version number 0 # Description: may-cc-pV(T+d)Z basis of Papajak/Truhlar # Role: orbital diff --git a/src/basis/libraries.bse/may-cc-pvt+dz-autoaux b/src/basis/libraries.bse/may-cc-pvt+dz-autoaux index 32d76e17af..2e19959327 100644 --- a/src/basis/libraries.bse/may-cc-pvt+dz-autoaux +++ b/src/basis/libraries.bse/may-cc-pvt+dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # may-cc-pV(T+d)Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/midi b/src/basis/libraries.bse/midi index e9d86bc51a..aaeb7007ec 100644 --- a/src/basis/libraries.bse/midi +++ b/src/basis/libraries.bse/midi @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MIDI version number 0 # Description: Huzinaga MIDI # Role: orbital diff --git a/src/basis/libraries.bse/midi! b/src/basis/libraries.bse/midi! index 06a351663b..7c4d645b59 100644 --- a/src/basis/libraries.bse/midi! +++ b/src/basis/libraries.bse/midi! @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MIDI! version number 1 # Description: VDZP Valence Double Zeta + Polarization on some atoms # Role: orbital diff --git a/src/basis/libraries.bse/midi!-autoaux b/src/basis/libraries.bse/midi!-autoaux index 520badabd4..302fcff1c3 100644 --- a/src/basis/libraries.bse/midi!-autoaux +++ b/src/basis/libraries.bse/midi!-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MIDI! version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/midi-autoaux b/src/basis/libraries.bse/midi-autoaux index 6889230bd3..06eec98e43 100644 --- a/src/basis/libraries.bse/midi-autoaux +++ b/src/basis/libraries.bse/midi-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MIDI version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/midix b/src/basis/libraries.bse/midix index 22825af04a..76c8b01a26 100644 --- a/src/basis/libraries.bse/midix +++ b/src/basis/libraries.bse/midix @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MIDIX version number 1 # Description: VDZP Valence Double Zeta + Polarization on some atoms # Role: orbital diff --git a/src/basis/libraries.bse/midix-autoaux b/src/basis/libraries.bse/midix-autoaux index 3ccbc4661c..fdbf7991b3 100644 --- a/src/basis/libraries.bse/midix-autoaux +++ b/src/basis/libraries.bse/midix-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MIDIX version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/mini b/src/basis/libraries.bse/mini index 8dfddba935..4ad4bf4ad4 100644 --- a/src/basis/libraries.bse/mini +++ b/src/basis/libraries.bse/mini @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MINI version number 0 # Description: Huzinaga MINI # Role: orbital diff --git a/src/basis/libraries.bse/mini-autoaux b/src/basis/libraries.bse/mini-autoaux index ae31a793d3..0bbd40f5b1 100644 --- a/src/basis/libraries.bse/mini-autoaux +++ b/src/basis/libraries.bse/mini-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # MINI version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/modified-lanl2dz b/src/basis/libraries.bse/modified-lanl2dz index 5adca6b88d..c5d8cafc77 100644 --- a/src/basis/libraries.bse/modified-lanl2dz +++ b/src/basis/libraries.bse/modified-lanl2dz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # modified-LANL2DZ version number 0 # Description: Couty-Hall Modified LANL2DZ Basis Sets for Transition Metals # Role: orbital diff --git a/src/basis/libraries.bse/modified-lanl2dz-autoaux b/src/basis/libraries.bse/modified-lanl2dz-autoaux index 387d4b37f3..1df4fa1ba4 100644 --- a/src/basis/libraries.bse/modified-lanl2dz-autoaux +++ b/src/basis/libraries.bse/modified-lanl2dz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # modified-LANL2DZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_ano b/src/basis/libraries.bse/nasa_ames_ano index 40d2a5cca8..c04da1c128 100644 --- a/src/basis/libraries.bse/nasa_ames_ano +++ b/src/basis/libraries.bse/nasa_ames_ano @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames ANO version number 0 # Description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_ano-autoaux b/src/basis/libraries.bse/nasa_ames_ano-autoaux index 60a57efd69..49500b52c4 100644 --- a/src/basis/libraries.bse/nasa_ames_ano-autoaux +++ b/src/basis/libraries.bse/nasa_ames_ano-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames ANO version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_ano2 b/src/basis/libraries.bse/nasa_ames_ano2 index fc3696200a..a1647b31e9 100644 --- a/src/basis/libraries.bse/nasa_ames_ano2 +++ b/src/basis/libraries.bse/nasa_ames_ano2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames ANO2 version number 0 # Description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_ano2-autoaux b/src/basis/libraries.bse/nasa_ames_ano2-autoaux index 373094d044..e40e01f9fd 100644 --- a/src/basis/libraries.bse/nasa_ames_ano2-autoaux +++ b/src/basis/libraries.bse/nasa_ames_ano2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames ANO2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_cc-pcv5z b/src/basis/libraries.bse/nasa_ames_cc-pcv5z index 996ffcf90d..62c794887d 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pcv5z +++ b/src/basis/libraries.bse/nasa_ames_cc-pcv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pCV5Z version number 0 # Description: NASA Ames cc-pCV5Z # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_cc-pcv5z-autoaux b/src/basis/libraries.bse/nasa_ames_cc-pcv5z-autoaux index fc6b2169c3..ac3ee949d2 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pcv5z-autoaux +++ b/src/basis/libraries.bse/nasa_ames_cc-pcv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pCV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_cc-pcvqz b/src/basis/libraries.bse/nasa_ames_cc-pcvqz index a8d0281e5f..2279820cf7 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pcvqz +++ b/src/basis/libraries.bse/nasa_ames_cc-pcvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pCVQZ version number 0 # Description: NASA Ames cc-pCVQZ # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_cc-pcvqz-autoaux b/src/basis/libraries.bse/nasa_ames_cc-pcvqz-autoaux index 47cf84dc2a..152256c413 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pcvqz-autoaux +++ b/src/basis/libraries.bse/nasa_ames_cc-pcvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pCVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_cc-pcvtz b/src/basis/libraries.bse/nasa_ames_cc-pcvtz index 4a9c0caff7..5c4fb2657f 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pcvtz +++ b/src/basis/libraries.bse/nasa_ames_cc-pcvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pCVTZ version number 0 # Description: NASA Ames cc-pCVTZ # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_cc-pcvtz-autoaux b/src/basis/libraries.bse/nasa_ames_cc-pcvtz-autoaux index b5cad290fc..6c00a98a7b 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pcvtz-autoaux +++ b/src/basis/libraries.bse/nasa_ames_cc-pcvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pCVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_cc-pv5z b/src/basis/libraries.bse/nasa_ames_cc-pv5z index a4e9c58335..ad58f015dd 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pv5z +++ b/src/basis/libraries.bse/nasa_ames_cc-pv5z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pV5Z version number 0 # Description: NASA Ames cc-pV5Z # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_cc-pv5z-autoaux b/src/basis/libraries.bse/nasa_ames_cc-pv5z-autoaux index b45df83dff..f151d0e6c9 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pv5z-autoaux +++ b/src/basis/libraries.bse/nasa_ames_cc-pv5z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pV5Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_cc-pvqz b/src/basis/libraries.bse/nasa_ames_cc-pvqz index a31da7deb5..619913b541 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pvqz +++ b/src/basis/libraries.bse/nasa_ames_cc-pvqz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pVQZ version number 0 # Description: NASA Ames cc-pVQZ # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_cc-pvqz-autoaux b/src/basis/libraries.bse/nasa_ames_cc-pvqz-autoaux index 913426f7e6..50bde6af15 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pvqz-autoaux +++ b/src/basis/libraries.bse/nasa_ames_cc-pvqz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pVQZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nasa_ames_cc-pvtz b/src/basis/libraries.bse/nasa_ames_cc-pvtz index cd2780346d..318321231b 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pvtz +++ b/src/basis/libraries.bse/nasa_ames_cc-pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pVTZ version number 0 # Description: NASA Ames cc-pVTZ # Role: orbital diff --git a/src/basis/libraries.bse/nasa_ames_cc-pvtz-autoaux b/src/basis/libraries.bse/nasa_ames_cc-pvtz-autoaux index 258b6eae95..201b0286e1 100644 --- a/src/basis/libraries.bse/nasa_ames_cc-pvtz-autoaux +++ b/src/basis/libraries.bse/nasa_ames_cc-pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NASA Ames cc-pVTZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nlo-v b/src/basis/libraries.bse/nlo-v index 786dabf73b..0e756aaf92 100644 --- a/src/basis/libraries.bse/nlo-v +++ b/src/basis/libraries.bse/nlo-v @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NLO-V version number 0 # Description: NLO-V (V=1-3) used to calculate linear and mainly nonlinear optical properties for molecules # Role: orbital diff --git a/src/basis/libraries.bse/nlo-v-autoaux b/src/basis/libraries.bse/nlo-v-autoaux index e1b6835c23..eb02b1d795 100644 --- a/src/basis/libraries.bse/nlo-v-autoaux +++ b/src/basis/libraries.bse/nlo-v-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NLO-V version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/nmr-dkh_tz2p b/src/basis/libraries.bse/nmr-dkh_tz2p index 7ff15a6928..c56758219c 100644 --- a/src/basis/libraries.bse/nmr-dkh_tz2p +++ b/src/basis/libraries.bse/nmr-dkh_tz2p @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NMR-DKH (TZ2P) version number 0 # Description: NMR-DKH (TZ2P) triple-zeta doubly-polarized # Role: orbital diff --git a/src/basis/libraries.bse/nmr-dkh_tz2p-autoaux b/src/basis/libraries.bse/nmr-dkh_tz2p-autoaux index eb9cc17319..3ede65270d 100644 --- a/src/basis/libraries.bse/nmr-dkh_tz2p-autoaux +++ b/src/basis/libraries.bse/nmr-dkh_tz2p-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # NMR-DKH (TZ2P) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/orp b/src/basis/libraries.bse/orp index b40d4eb383..3c9b0b97ae 100644 --- a/src/basis/libraries.bse/orp +++ b/src/basis/libraries.bse/orp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ORP version number 1 # Description: ORP (Optical Rotation Prediction) Basis Set # Role: orbital diff --git a/src/basis/libraries.bse/orp-autoaux b/src/basis/libraries.bse/orp-autoaux index 5e65546cf4..cd5309eeca 100644 --- a/src/basis/libraries.bse/orp-autoaux +++ b/src/basis/libraries.bse/orp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # ORP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/partridge_uncontracted_1 b/src/basis/libraries.bse/partridge_uncontracted_1 index 6408387293..c7577a5607 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_1 +++ b/src/basis/libraries.bse/partridge_uncontracted_1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 1 version number 0 # Description: Partridge Uncontracted 1 # Role: orbital diff --git a/src/basis/libraries.bse/partridge_uncontracted_1-autoaux b/src/basis/libraries.bse/partridge_uncontracted_1-autoaux index 6d0f6274e7..8cc3eca66c 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_1-autoaux +++ b/src/basis/libraries.bse/partridge_uncontracted_1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 1 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/partridge_uncontracted_2 b/src/basis/libraries.bse/partridge_uncontracted_2 index 69826c3faa..344c547c49 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_2 +++ b/src/basis/libraries.bse/partridge_uncontracted_2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 2 version number 0 # Description: Partridge Uncontracted 2 # Role: orbital diff --git a/src/basis/libraries.bse/partridge_uncontracted_2-autoaux b/src/basis/libraries.bse/partridge_uncontracted_2-autoaux index 982dc85bda..950b74fc5e 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_2-autoaux +++ b/src/basis/libraries.bse/partridge_uncontracted_2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/partridge_uncontracted_3 b/src/basis/libraries.bse/partridge_uncontracted_3 index fc24c27e94..d3bde86446 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_3 +++ b/src/basis/libraries.bse/partridge_uncontracted_3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 3 version number 0 # Description: Partridge Uncontracted 3 # Role: orbital diff --git a/src/basis/libraries.bse/partridge_uncontracted_3-autoaux b/src/basis/libraries.bse/partridge_uncontracted_3-autoaux index 4ebb259cb8..b593ef4d66 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_3-autoaux +++ b/src/basis/libraries.bse/partridge_uncontracted_3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/partridge_uncontracted_4 b/src/basis/libraries.bse/partridge_uncontracted_4 index aa267c2183..d857e9eac7 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_4 +++ b/src/basis/libraries.bse/partridge_uncontracted_4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 4 version number 0 # Description: Partridge Uncontracted 4 # Role: orbital diff --git a/src/basis/libraries.bse/partridge_uncontracted_4-autoaux b/src/basis/libraries.bse/partridge_uncontracted_4-autoaux index 6913d3c474..869ac2d75c 100644 --- a/src/basis/libraries.bse/partridge_uncontracted_4-autoaux +++ b/src/basis/libraries.bse/partridge_uncontracted_4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Partridge Uncontracted 4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pc-0 b/src/basis/libraries.bse/pc-0 index 88e2e6ade4..8d656acae3 100644 --- a/src/basis/libraries.bse/pc-0 +++ b/src/basis/libraries.bse/pc-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-0 version number 0 # Description: pc-0(unpolarized) # Role: orbital diff --git a/src/basis/libraries.bse/pc-0-autoaux b/src/basis/libraries.bse/pc-0-autoaux index d46a14f07b..eee215f8d2 100644 --- a/src/basis/libraries.bse/pc-0-autoaux +++ b/src/basis/libraries.bse/pc-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-0 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pc-1 b/src/basis/libraries.bse/pc-1 index e4132bb88c..c837ad225e 100644 --- a/src/basis/libraries.bse/pc-1 +++ b/src/basis/libraries.bse/pc-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-1 version number 0 # Description: pc-1 # Role: orbital diff --git a/src/basis/libraries.bse/pc-1-autoaux b/src/basis/libraries.bse/pc-1-autoaux index 6b4f4345d9..632f478ee0 100644 --- a/src/basis/libraries.bse/pc-1-autoaux +++ b/src/basis/libraries.bse/pc-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-1 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pc-2 b/src/basis/libraries.bse/pc-2 index 8e03bbbdb6..c17da552c8 100644 --- a/src/basis/libraries.bse/pc-2 +++ b/src/basis/libraries.bse/pc-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-2 version number 0 # Description: pc-2 # Role: orbital diff --git a/src/basis/libraries.bse/pc-2-autoaux b/src/basis/libraries.bse/pc-2-autoaux index 614bc5c6c4..cc8c82d588 100644 --- a/src/basis/libraries.bse/pc-2-autoaux +++ b/src/basis/libraries.bse/pc-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pc-3 b/src/basis/libraries.bse/pc-3 index 61c6307da9..946df00fef 100644 --- a/src/basis/libraries.bse/pc-3 +++ b/src/basis/libraries.bse/pc-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-3 version number 0 # Description: pc-3 # Role: orbital diff --git a/src/basis/libraries.bse/pc-3-autoaux b/src/basis/libraries.bse/pc-3-autoaux index c6dc22a28c..ee82fc25b4 100644 --- a/src/basis/libraries.bse/pc-3-autoaux +++ b/src/basis/libraries.bse/pc-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pc-4 b/src/basis/libraries.bse/pc-4 index b1bd2320fb..7dedff4f87 100644 --- a/src/basis/libraries.bse/pc-4 +++ b/src/basis/libraries.bse/pc-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-4 version number 0 # Description: pc-4 # Role: orbital diff --git a/src/basis/libraries.bse/pc-4-autoaux b/src/basis/libraries.bse/pc-4-autoaux index 802543fe00..2229aac274 100644 --- a/src/basis/libraries.bse/pc-4-autoaux +++ b/src/basis/libraries.bse/pc-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pc-4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcemd-2 b/src/basis/libraries.bse/pcemd-2 index 425e56c35f..763944002b 100644 --- a/src/basis/libraries.bse/pcemd-2 +++ b/src/basis/libraries.bse/pcemd-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcemd-2 version number 0 # Description: pcemd-2: polarization-consistent electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/pcemd-2-autoaux b/src/basis/libraries.bse/pcemd-2-autoaux index 2c836422fd..479ba2262e 100644 --- a/src/basis/libraries.bse/pcemd-2-autoaux +++ b/src/basis/libraries.bse/pcemd-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcemd-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcemd-3 b/src/basis/libraries.bse/pcemd-3 index 5e865b0c7e..52880d6f76 100644 --- a/src/basis/libraries.bse/pcemd-3 +++ b/src/basis/libraries.bse/pcemd-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcemd-3 version number 0 # Description: pcemd-3: polarization-consistent electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/pcemd-3-autoaux b/src/basis/libraries.bse/pcemd-3-autoaux index c1bd13dfde..136bb06bec 100644 --- a/src/basis/libraries.bse/pcemd-3-autoaux +++ b/src/basis/libraries.bse/pcemd-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcemd-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcemd-4 b/src/basis/libraries.bse/pcemd-4 index cc7f18f8f9..efb8f56bc7 100644 --- a/src/basis/libraries.bse/pcemd-4 +++ b/src/basis/libraries.bse/pcemd-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcemd-4 version number 0 # Description: pcemd-4: polarization-consistent electron momentum density # Role: orbital diff --git a/src/basis/libraries.bse/pcemd-4-autoaux b/src/basis/libraries.bse/pcemd-4-autoaux index 24f9bc04f7..f60f641143 100644 --- a/src/basis/libraries.bse/pcemd-4-autoaux +++ b/src/basis/libraries.bse/pcemd-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcemd-4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pch-1 b/src/basis/libraries.bse/pch-1 index 34d275ff43..d3f89e3532 100644 --- a/src/basis/libraries.bse/pch-1 +++ b/src/basis/libraries.bse/pch-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-1 version number 1 # Description: pcH-1 # Role: orbital diff --git a/src/basis/libraries.bse/pch-1-autoaux b/src/basis/libraries.bse/pch-1-autoaux index a3f7f540e4..10e7ee6214 100644 --- a/src/basis/libraries.bse/pch-1-autoaux +++ b/src/basis/libraries.bse/pch-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pch-2 b/src/basis/libraries.bse/pch-2 index 4e14a538af..f2df4030af 100644 --- a/src/basis/libraries.bse/pch-2 +++ b/src/basis/libraries.bse/pch-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-2 version number 1 # Description: pcH-2 # Role: orbital diff --git a/src/basis/libraries.bse/pch-2-autoaux b/src/basis/libraries.bse/pch-2-autoaux index ff975d6edd..b4ccb19b10 100644 --- a/src/basis/libraries.bse/pch-2-autoaux +++ b/src/basis/libraries.bse/pch-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pch-3 b/src/basis/libraries.bse/pch-3 index b1c9b705e2..9ecdf27dc2 100644 --- a/src/basis/libraries.bse/pch-3 +++ b/src/basis/libraries.bse/pch-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-3 version number 1 # Description: pcH-3 # Role: orbital diff --git a/src/basis/libraries.bse/pch-3-autoaux b/src/basis/libraries.bse/pch-3-autoaux index 6a7ec40bbf..2c8c581f1b 100644 --- a/src/basis/libraries.bse/pch-3-autoaux +++ b/src/basis/libraries.bse/pch-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pch-4 b/src/basis/libraries.bse/pch-4 index 3acbe07eec..028e4f57cb 100644 --- a/src/basis/libraries.bse/pch-4 +++ b/src/basis/libraries.bse/pch-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-4 version number 1 # Description: pcH-4 # Role: orbital diff --git a/src/basis/libraries.bse/pch-4-autoaux b/src/basis/libraries.bse/pch-4-autoaux index 0d25f03dab..aa95363f6e 100644 --- a/src/basis/libraries.bse/pch-4-autoaux +++ b/src/basis/libraries.bse/pch-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcH-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-0 b/src/basis/libraries.bse/pcj-0 index 4589c80abc..7a9c2eb9d3 100644 --- a/src/basis/libraries.bse/pcj-0 +++ b/src/basis/libraries.bse/pcj-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-0 version number 1 # Description: Contracted version of the pcJ-0 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcj-0-autoaux b/src/basis/libraries.bse/pcj-0-autoaux index 2e0cc2f2c5..383c46533a 100644 --- a/src/basis/libraries.bse/pcj-0-autoaux +++ b/src/basis/libraries.bse/pcj-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-0 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-0_2006 b/src/basis/libraries.bse/pcj-0_2006 index b32db814be..2d4d079a1c 100644 --- a/src/basis/libraries.bse/pcj-0_2006 +++ b/src/basis/libraries.bse/pcj-0_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-0_2006 version number 0 # Description: pcJ-0_2006 # Role: orbital diff --git a/src/basis/libraries.bse/pcj-0_2006-autoaux b/src/basis/libraries.bse/pcj-0_2006-autoaux index 7f1310daba..c8be26966c 100644 --- a/src/basis/libraries.bse/pcj-0_2006-autoaux +++ b/src/basis/libraries.bse/pcj-0_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-0_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-1 b/src/basis/libraries.bse/pcj-1 index ce3764fca6..a5f7d9d166 100644 --- a/src/basis/libraries.bse/pcj-1 +++ b/src/basis/libraries.bse/pcj-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-1 version number 1 # Description: Contracted version of the pcJ-1 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcj-1-autoaux b/src/basis/libraries.bse/pcj-1-autoaux index c40be3422d..934a6ad895 100644 --- a/src/basis/libraries.bse/pcj-1-autoaux +++ b/src/basis/libraries.bse/pcj-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-1_2006 b/src/basis/libraries.bse/pcj-1_2006 index fac59788eb..ffee1971ca 100644 --- a/src/basis/libraries.bse/pcj-1_2006 +++ b/src/basis/libraries.bse/pcj-1_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-1_2006 version number 0 # Description: pcJ-1_2006 # Role: orbital diff --git a/src/basis/libraries.bse/pcj-1_2006-autoaux b/src/basis/libraries.bse/pcj-1_2006-autoaux index 185597664c..6265cf6cb7 100644 --- a/src/basis/libraries.bse/pcj-1_2006-autoaux +++ b/src/basis/libraries.bse/pcj-1_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-1_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-2 b/src/basis/libraries.bse/pcj-2 index 4c02b99332..bba2b8a30c 100644 --- a/src/basis/libraries.bse/pcj-2 +++ b/src/basis/libraries.bse/pcj-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-2 version number 1 # Description: Contracted version of the pcJ-2 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcj-2-autoaux b/src/basis/libraries.bse/pcj-2-autoaux index ebc5417cdf..3caba5100d 100644 --- a/src/basis/libraries.bse/pcj-2-autoaux +++ b/src/basis/libraries.bse/pcj-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-2_2006 b/src/basis/libraries.bse/pcj-2_2006 index 00413bfe78..8cb766cb3a 100644 --- a/src/basis/libraries.bse/pcj-2_2006 +++ b/src/basis/libraries.bse/pcj-2_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-2_2006 version number 0 # Description: pcJ-2_2006 # Role: orbital diff --git a/src/basis/libraries.bse/pcj-2_2006-autoaux b/src/basis/libraries.bse/pcj-2_2006-autoaux index ec8ae702c3..562dcefee3 100644 --- a/src/basis/libraries.bse/pcj-2_2006-autoaux +++ b/src/basis/libraries.bse/pcj-2_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-2_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-3 b/src/basis/libraries.bse/pcj-3 index 922d5f7f3f..57896fafc2 100644 --- a/src/basis/libraries.bse/pcj-3 +++ b/src/basis/libraries.bse/pcj-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-3 version number 1 # Description: Contracted version of the pcJ-3 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcj-3-autoaux b/src/basis/libraries.bse/pcj-3-autoaux index 7c02768776..07e21ec5e7 100644 --- a/src/basis/libraries.bse/pcj-3-autoaux +++ b/src/basis/libraries.bse/pcj-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-3_2006 b/src/basis/libraries.bse/pcj-3_2006 index e660ce0c30..5edbf1db98 100644 --- a/src/basis/libraries.bse/pcj-3_2006 +++ b/src/basis/libraries.bse/pcj-3_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-3_2006 version number 0 # Description: pcJ-3_2006 # Role: orbital diff --git a/src/basis/libraries.bse/pcj-3_2006-autoaux b/src/basis/libraries.bse/pcj-3_2006-autoaux index e37ade6252..457f6ad004 100644 --- a/src/basis/libraries.bse/pcj-3_2006-autoaux +++ b/src/basis/libraries.bse/pcj-3_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-3_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-4 b/src/basis/libraries.bse/pcj-4 index fc31a3a11f..5bcef5e02c 100644 --- a/src/basis/libraries.bse/pcj-4 +++ b/src/basis/libraries.bse/pcj-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-4 version number 1 # Description: Contracted version of the pcJ-4 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcj-4-autoaux b/src/basis/libraries.bse/pcj-4-autoaux index b046e4c98c..39405ece7f 100644 --- a/src/basis/libraries.bse/pcj-4-autoaux +++ b/src/basis/libraries.bse/pcj-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcj-4_2006 b/src/basis/libraries.bse/pcj-4_2006 index f52456cd2a..10355c2fef 100644 --- a/src/basis/libraries.bse/pcj-4_2006 +++ b/src/basis/libraries.bse/pcj-4_2006 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-4_2006 version number 0 # Description: pcJ-4_2006 # Role: orbital diff --git a/src/basis/libraries.bse/pcj-4_2006-autoaux b/src/basis/libraries.bse/pcj-4_2006-autoaux index 2f9983073e..6515976a34 100644 --- a/src/basis/libraries.bse/pcj-4_2006-autoaux +++ b/src/basis/libraries.bse/pcj-4_2006-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcJ-4_2006 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcs-0 b/src/basis/libraries.bse/pcs-0 index d61bf1e9ad..52762cafaf 100644 --- a/src/basis/libraries.bse/pcs-0 +++ b/src/basis/libraries.bse/pcs-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-0 version number 0 # Description: pcS-0 # Role: orbital diff --git a/src/basis/libraries.bse/pcs-0-autoaux b/src/basis/libraries.bse/pcs-0-autoaux index cd14fb9d01..170a00c0ba 100644 --- a/src/basis/libraries.bse/pcs-0-autoaux +++ b/src/basis/libraries.bse/pcs-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-0 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcs-1 b/src/basis/libraries.bse/pcs-1 index 831bb0bebe..c0f0f6b9b3 100644 --- a/src/basis/libraries.bse/pcs-1 +++ b/src/basis/libraries.bse/pcs-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-1 version number 0 # Description: pcS-1 # Role: orbital diff --git a/src/basis/libraries.bse/pcs-1-autoaux b/src/basis/libraries.bse/pcs-1-autoaux index 03ca390ef5..d8469c0dbb 100644 --- a/src/basis/libraries.bse/pcs-1-autoaux +++ b/src/basis/libraries.bse/pcs-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-1 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcs-2 b/src/basis/libraries.bse/pcs-2 index 5280aeef1f..ccc6628584 100644 --- a/src/basis/libraries.bse/pcs-2 +++ b/src/basis/libraries.bse/pcs-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-2 version number 0 # Description: pcS-2 # Role: orbital diff --git a/src/basis/libraries.bse/pcs-2-autoaux b/src/basis/libraries.bse/pcs-2-autoaux index aad0a90e94..e0a8550905 100644 --- a/src/basis/libraries.bse/pcs-2-autoaux +++ b/src/basis/libraries.bse/pcs-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcs-3 b/src/basis/libraries.bse/pcs-3 index de189a8fde..12279c5db5 100644 --- a/src/basis/libraries.bse/pcs-3 +++ b/src/basis/libraries.bse/pcs-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-3 version number 0 # Description: pcS-3 # Role: orbital diff --git a/src/basis/libraries.bse/pcs-3-autoaux b/src/basis/libraries.bse/pcs-3-autoaux index 88f8947663..f2c303ceb3 100644 --- a/src/basis/libraries.bse/pcs-3-autoaux +++ b/src/basis/libraries.bse/pcs-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-3 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcs-4 b/src/basis/libraries.bse/pcs-4 index 324b4fa554..b53f0a8efd 100644 --- a/src/basis/libraries.bse/pcs-4 +++ b/src/basis/libraries.bse/pcs-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-4 version number 0 # Description: pcS-4 # Role: orbital diff --git a/src/basis/libraries.bse/pcs-4-autoaux b/src/basis/libraries.bse/pcs-4-autoaux index 5a5778278b..929539944d 100644 --- a/src/basis/libraries.bse/pcs-4-autoaux +++ b/src/basis/libraries.bse/pcs-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcS-4 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcseg-0 b/src/basis/libraries.bse/pcseg-0 index 887205d676..6933a06b47 100644 --- a/src/basis/libraries.bse/pcseg-0 +++ b/src/basis/libraries.bse/pcseg-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-0 version number 1 # Description: Segmented contracted version of the pc-0 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcseg-0-autoaux b/src/basis/libraries.bse/pcseg-0-autoaux index 7d5043ad49..e43b4f6cbc 100644 --- a/src/basis/libraries.bse/pcseg-0-autoaux +++ b/src/basis/libraries.bse/pcseg-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-0 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcseg-1 b/src/basis/libraries.bse/pcseg-1 index f163ea4f5f..5a9a72996a 100644 --- a/src/basis/libraries.bse/pcseg-1 +++ b/src/basis/libraries.bse/pcseg-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-1 version number 1 # Description: Segmented contracted version of the pc-1 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcseg-1-autoaux b/src/basis/libraries.bse/pcseg-1-autoaux index f14a3b3608..bd15897b4b 100644 --- a/src/basis/libraries.bse/pcseg-1-autoaux +++ b/src/basis/libraries.bse/pcseg-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcseg-2 b/src/basis/libraries.bse/pcseg-2 index 5c0dbce4de..6d099a2ef1 100644 --- a/src/basis/libraries.bse/pcseg-2 +++ b/src/basis/libraries.bse/pcseg-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-2 version number 1 # Description: Segmented contracted version of the pc-2 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcseg-2-autoaux b/src/basis/libraries.bse/pcseg-2-autoaux index b5de854a8c..ac3a0f6fdb 100644 --- a/src/basis/libraries.bse/pcseg-2-autoaux +++ b/src/basis/libraries.bse/pcseg-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcseg-3 b/src/basis/libraries.bse/pcseg-3 index de925df21c..dea1684bdc 100644 --- a/src/basis/libraries.bse/pcseg-3 +++ b/src/basis/libraries.bse/pcseg-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-3 version number 1 # Description: Segmented contracted version of the pc-3 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcseg-3-autoaux b/src/basis/libraries.bse/pcseg-3-autoaux index aef703ba2f..9d02bfcb6f 100644 --- a/src/basis/libraries.bse/pcseg-3-autoaux +++ b/src/basis/libraries.bse/pcseg-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcseg-4 b/src/basis/libraries.bse/pcseg-4 index 996b3a6323..bf42646afb 100644 --- a/src/basis/libraries.bse/pcseg-4 +++ b/src/basis/libraries.bse/pcseg-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-4 version number 1 # Description: Segmented contracted version of the pc-4 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcseg-4-autoaux b/src/basis/libraries.bse/pcseg-4-autoaux index 08400bda45..311cd2edd2 100644 --- a/src/basis/libraries.bse/pcseg-4-autoaux +++ b/src/basis/libraries.bse/pcseg-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcseg-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcsseg-0 b/src/basis/libraries.bse/pcsseg-0 index ccc0f9c644..dc45908c90 100644 --- a/src/basis/libraries.bse/pcsseg-0 +++ b/src/basis/libraries.bse/pcsseg-0 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-0 version number 1 # Description: Segmented contracted version of the pcS-0 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcsseg-0-autoaux b/src/basis/libraries.bse/pcsseg-0-autoaux index d2204fc1a6..e19ecdf4af 100644 --- a/src/basis/libraries.bse/pcsseg-0-autoaux +++ b/src/basis/libraries.bse/pcsseg-0-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-0 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcsseg-1 b/src/basis/libraries.bse/pcsseg-1 index 011253afd4..21daea7db8 100644 --- a/src/basis/libraries.bse/pcsseg-1 +++ b/src/basis/libraries.bse/pcsseg-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-1 version number 1 # Description: Segmented contracted version of the pcS-1 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcsseg-1-autoaux b/src/basis/libraries.bse/pcsseg-1-autoaux index 5e72f8aeff..0afca4a206 100644 --- a/src/basis/libraries.bse/pcsseg-1-autoaux +++ b/src/basis/libraries.bse/pcsseg-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcsseg-2 b/src/basis/libraries.bse/pcsseg-2 index dbd1b72e65..e71e870540 100644 --- a/src/basis/libraries.bse/pcsseg-2 +++ b/src/basis/libraries.bse/pcsseg-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-2 version number 1 # Description: Segmented contracted version of the pcS-2 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcsseg-2-autoaux b/src/basis/libraries.bse/pcsseg-2-autoaux index 53065283b7..54e35f11ec 100644 --- a/src/basis/libraries.bse/pcsseg-2-autoaux +++ b/src/basis/libraries.bse/pcsseg-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcsseg-3 b/src/basis/libraries.bse/pcsseg-3 index d84cfe26ad..6959261804 100644 --- a/src/basis/libraries.bse/pcsseg-3 +++ b/src/basis/libraries.bse/pcsseg-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-3 version number 1 # Description: Segmented contracted version of the pcS-3 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcsseg-3-autoaux b/src/basis/libraries.bse/pcsseg-3-autoaux index eef3d508f2..3f8bfa3f55 100644 --- a/src/basis/libraries.bse/pcsseg-3-autoaux +++ b/src/basis/libraries.bse/pcsseg-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcsseg-4 b/src/basis/libraries.bse/pcsseg-4 index b35eaece1e..3c3877c934 100644 --- a/src/basis/libraries.bse/pcsseg-4 +++ b/src/basis/libraries.bse/pcsseg-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-4 version number 1 # Description: Segmented contracted version of the pcS-4 basis # Role: orbital diff --git a/src/basis/libraries.bse/pcsseg-4-autoaux b/src/basis/libraries.bse/pcsseg-4-autoaux index a84824ff72..f119c7fa5f 100644 --- a/src/basis/libraries.bse/pcsseg-4-autoaux +++ b/src/basis/libraries.bse/pcsseg-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcSseg-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcx-1 b/src/basis/libraries.bse/pcx-1 index 22315f5dd3..b2f6afeac3 100644 --- a/src/basis/libraries.bse/pcx-1 +++ b/src/basis/libraries.bse/pcx-1 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-1 version number 1 # Description: Jensen pcX basis set optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/pcx-1-autoaux b/src/basis/libraries.bse/pcx-1-autoaux index 3dba7f0a0f..0f4f9c2745 100644 --- a/src/basis/libraries.bse/pcx-1-autoaux +++ b/src/basis/libraries.bse/pcx-1-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-1 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcx-2 b/src/basis/libraries.bse/pcx-2 index 8566cc4644..b0ee6fc419 100644 --- a/src/basis/libraries.bse/pcx-2 +++ b/src/basis/libraries.bse/pcx-2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-2 version number 1 # Description: Jensen pcX basis set optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/pcx-2-autoaux b/src/basis/libraries.bse/pcx-2-autoaux index c4b1b8366c..1d1454350d 100644 --- a/src/basis/libraries.bse/pcx-2-autoaux +++ b/src/basis/libraries.bse/pcx-2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-2 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcx-3 b/src/basis/libraries.bse/pcx-3 index aeb162ace3..f4c8e1edd3 100644 --- a/src/basis/libraries.bse/pcx-3 +++ b/src/basis/libraries.bse/pcx-3 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-3 version number 1 # Description: Jensen pcX basis set optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/pcx-3-autoaux b/src/basis/libraries.bse/pcx-3-autoaux index d1b5f1c0e3..82e5fcf81d 100644 --- a/src/basis/libraries.bse/pcx-3-autoaux +++ b/src/basis/libraries.bse/pcx-3-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-3 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pcx-4 b/src/basis/libraries.bse/pcx-4 index 640ee68fc3..ab1f6363f6 100644 --- a/src/basis/libraries.bse/pcx-4 +++ b/src/basis/libraries.bse/pcx-4 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-4 version number 1 # Description: Jensen pcX basis set optimized for core-spectroscopy # Role: orbital diff --git a/src/basis/libraries.bse/pcx-4-autoaux b/src/basis/libraries.bse/pcx-4-autoaux index a8dc27cb9c..c539e840f2 100644 --- a/src/basis/libraries.bse/pcx-4-autoaux +++ b/src/basis/libraries.bse/pcx-4-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pcX-4 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/psbkjc b/src/basis/libraries.bse/psbkjc index 1258f183ec..583738f058 100644 --- a/src/basis/libraries.bse/psbkjc +++ b/src/basis/libraries.bse/psbkjc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pSBKJC version number 0 # Description: Electrically polarized valence basis sets for the SBKJC effective core potential developed for calculations of dynamic polarizabilities and Raman intensities # Role: orbital diff --git a/src/basis/libraries.bse/psbkjc-autoaux b/src/basis/libraries.bse/psbkjc-autoaux index 74be9dc64d..752b25dbf6 100644 --- a/src/basis/libraries.bse/psbkjc-autoaux +++ b/src/basis/libraries.bse/psbkjc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pSBKJC version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pt_-_mdzp b/src/basis/libraries.bse/pt_-_mdzp index 57e4bb8085..19895c5952 100644 --- a/src/basis/libraries.bse/pt_-_mdzp +++ b/src/basis/libraries.bse/pt_-_mdzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Pt - mDZP version number 0 # Description: Pt - mDZP # Role: orbital diff --git a/src/basis/libraries.bse/pt_-_mdzp-autoaux b/src/basis/libraries.bse/pt_-_mdzp-autoaux index b54167f373..dd55c2d690 100644 --- a/src/basis/libraries.bse/pt_-_mdzp-autoaux +++ b/src/basis/libraries.bse/pt_-_mdzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Pt - mDZP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pv6z b/src/basis/libraries.bse/pv6z index a08cb3e417..fb2bec4548 100644 --- a/src/basis/libraries.bse/pv6z +++ b/src/basis/libraries.bse/pv6z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pV6Z version number 0 # Description: V6Z5P Valence Sextuple Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/pv6z-autoaux b/src/basis/libraries.bse/pv6z-autoaux index e15526bda2..d26a57a3e7 100644 --- a/src/basis/libraries.bse/pv6z-autoaux +++ b/src/basis/libraries.bse/pv6z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pV6Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/pv7z b/src/basis/libraries.bse/pv7z index c3d69d1123..110647afb0 100644 --- a/src/basis/libraries.bse/pv7z +++ b/src/basis/libraries.bse/pv7z @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pV7Z version number 0 # Description: pV7Z # Role: orbital diff --git a/src/basis/libraries.bse/pv7z-autoaux b/src/basis/libraries.bse/pv7z-autoaux index f382a5b5e0..9b9dacc0cf 100644 --- a/src/basis/libraries.bse/pv7z-autoaux +++ b/src/basis/libraries.bse/pv7z-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # pV7Z version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/roos_augmented_double_zeta_ano b/src/basis/libraries.bse/roos_augmented_double_zeta_ano index fd8ab30917..ac440b8720 100644 --- a/src/basis/libraries.bse/roos_augmented_double_zeta_ano +++ b/src/basis/libraries.bse/roos_augmented_double_zeta_ano @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Roos Augmented Double Zeta ANO version number 0 # Description: Roos Augmented Double Zeta ANO # Role: orbital @@ -54,21 +54,22 @@ # Pou-Amérigo, Rosendo, Merchán, Manuela, Nebot-Gil, Ignacio, Widmark, # Per-Olof, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. III. First row transition +# metal atoms # Theor. Chim. Acta 92, 149 (1995) # 10.1007/s002140050119 # # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # # widmark1991a # Widmark, Per-Olof, Persson, B. Joakim, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. II. Second row atoms # Theor. Chim. Acta 79, 419-432 (1991) # 10.1007/bf01112569 # diff --git a/src/basis/libraries.bse/roos_augmented_double_zeta_ano-autoaux b/src/basis/libraries.bse/roos_augmented_double_zeta_ano-autoaux index 22f519fd4a..4c1445b9fc 100644 --- a/src/basis/libraries.bse/roos_augmented_double_zeta_ano-autoaux +++ b/src/basis/libraries.bse/roos_augmented_double_zeta_ano-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Roos Augmented Double Zeta ANO version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/roos_augmented_triple_zeta_ano b/src/basis/libraries.bse/roos_augmented_triple_zeta_ano index 0f71a7023f..9cf320fe1f 100644 --- a/src/basis/libraries.bse/roos_augmented_triple_zeta_ano +++ b/src/basis/libraries.bse/roos_augmented_triple_zeta_ano @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Roos Augmented Triple Zeta ANO version number 0 # Description: Roos Augmented Triple Zeta ANO # Role: orbital @@ -63,21 +63,22 @@ # Pou-Amérigo, Rosendo, Merchán, Manuela, Nebot-Gil, Ignacio, Widmark, # Per-Olof, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. III. First row transition +# metal atoms # Theor. Chim. Acta 92, 149 (1995) # 10.1007/s002140050119 # # widmark1990a # Widmark, Per-Olof, Malmqvist, Per-Åke, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. I. First row atoms # Theor. Chim. Acta 77, 291-306 (1990) # 10.1007/bf01120130 # # widmark1991a # Widmark, Per-Olof, Persson, B. Joakim, Roos, Björn O. # Density matrix averaged atomic natural orbital (ANO) basis sets for -# correlated molecular wave functions +# correlated molecular wave functions. II. Second row atoms # Theor. Chim. Acta 79, 419-432 (1991) # 10.1007/bf01112569 # diff --git a/src/basis/libraries.bse/roos_augmented_triple_zeta_ano-autoaux b/src/basis/libraries.bse/roos_augmented_triple_zeta_ano-autoaux index 58aa2e921b..a406ef1f78 100644 --- a/src/basis/libraries.bse/roos_augmented_triple_zeta_ano-autoaux +++ b/src/basis/libraries.bse/roos_augmented_triple_zeta_ano-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Roos Augmented Triple Zeta ANO version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/s3-21g b/src/basis/libraries.bse/s3-21g index 969a8d7fc6..1880fe07e3 100644 --- a/src/basis/libraries.bse/s3-21g +++ b/src/basis/libraries.bse/s3-21g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s3-21G version number 0 # Description: s3-21G # Role: orbital diff --git a/src/basis/libraries.bse/s3-21g-autoaux b/src/basis/libraries.bse/s3-21g-autoaux index b5dea5544d..60ba324b0f 100644 --- a/src/basis/libraries.bse/s3-21g-autoaux +++ b/src/basis/libraries.bse/s3-21g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s3-21G version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/s3-21gs b/src/basis/libraries.bse/s3-21gs index 844473e4fc..d8fed001ce 100644 --- a/src/basis/libraries.bse/s3-21gs +++ b/src/basis/libraries.bse/s3-21gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s3-21G* version number 0 # Description: s3-21G* # Role: orbital diff --git a/src/basis/libraries.bse/s3-21gs-autoaux b/src/basis/libraries.bse/s3-21gs-autoaux index 48b35f8762..69e693f5f0 100644 --- a/src/basis/libraries.bse/s3-21gs-autoaux +++ b/src/basis/libraries.bse/s3-21gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s3-21G* version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/s6-31g b/src/basis/libraries.bse/s6-31g index e943e8a59b..1c2fb8d729 100644 --- a/src/basis/libraries.bse/s6-31g +++ b/src/basis/libraries.bse/s6-31g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s6-31G version number 0 # Description: s6-31G # Role: orbital diff --git a/src/basis/libraries.bse/s6-31g-autoaux b/src/basis/libraries.bse/s6-31g-autoaux index 50f18766b7..b60e7801a5 100644 --- a/src/basis/libraries.bse/s6-31g-autoaux +++ b/src/basis/libraries.bse/s6-31g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s6-31G version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/s6-31gs b/src/basis/libraries.bse/s6-31gs index c522b448cb..a858bc4b84 100644 --- a/src/basis/libraries.bse/s6-31gs +++ b/src/basis/libraries.bse/s6-31gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s6-31G* version number 0 # Description: s6-31G* # Role: orbital diff --git a/src/basis/libraries.bse/s6-31gs-autoaux b/src/basis/libraries.bse/s6-31gs-autoaux index a44e6904a9..3d2a79437c 100644 --- a/src/basis/libraries.bse/s6-31gs-autoaux +++ b/src/basis/libraries.bse/s6-31gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # s6-31G* version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sadlej+ b/src/basis/libraries.bse/sadlej+ index d679da06a2..eb7a02cfe0 100644 --- a/src/basis/libraries.bse/sadlej+ +++ b/src/basis/libraries.bse/sadlej+ @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sadlej+ version number 1 # Description: Sadlej+ # Role: orbital diff --git a/src/basis/libraries.bse/sadlej+-autoaux b/src/basis/libraries.bse/sadlej+-autoaux index a569857c02..a4dce4e8d7 100644 --- a/src/basis/libraries.bse/sadlej+-autoaux +++ b/src/basis/libraries.bse/sadlej+-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sadlej+ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sadlej_pvtz b/src/basis/libraries.bse/sadlej_pvtz index a4d1c765ef..e90e4a475a 100644 --- a/src/basis/libraries.bse/sadlej_pvtz +++ b/src/basis/libraries.bse/sadlej_pvtz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sadlej pVTZ version number 1 # Description: Sadlej polarized-valence-triple-zeta # Role: orbital diff --git a/src/basis/libraries.bse/sadlej_pvtz-autoaux b/src/basis/libraries.bse/sadlej_pvtz-autoaux index 7611eb8e42..17da8009df 100644 --- a/src/basis/libraries.bse/sadlej_pvtz-autoaux +++ b/src/basis/libraries.bse/sadlej_pvtz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sadlej pVTZ version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sap_grasp_large b/src/basis/libraries.bse/sap_grasp_large index 2c77c8e4f6..935e6efa5b 100644 --- a/src/basis/libraries.bse/sap_grasp_large +++ b/src/basis/libraries.bse/sap_grasp_large @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # sap_grasp_large version number 1 # Description: sap_grasp_large # Role: guess diff --git a/src/basis/libraries.bse/sap_grasp_small b/src/basis/libraries.bse/sap_grasp_small index e7fa3a5798..c3ee7d6ddc 100644 --- a/src/basis/libraries.bse/sap_grasp_small +++ b/src/basis/libraries.bse/sap_grasp_small @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # sap_grasp_small version number 1 # Description: sap_grasp_small # Role: guess diff --git a/src/basis/libraries.bse/sap_helfem_large b/src/basis/libraries.bse/sap_helfem_large index 8d51d498ab..ac485e14ae 100644 --- a/src/basis/libraries.bse/sap_helfem_large +++ b/src/basis/libraries.bse/sap_helfem_large @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # sap_helfem_large version number 1 # Description: sap_helfem_large # Role: guess diff --git a/src/basis/libraries.bse/sap_helfem_small b/src/basis/libraries.bse/sap_helfem_small index 51d396b991..89c2bc92f9 100644 --- a/src/basis/libraries.bse/sap_helfem_small +++ b/src/basis/libraries.bse/sap_helfem_small @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # sap_helfem_small version number 1 # Description: sap_helfem_small # Role: guess diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp b/src/basis/libraries.bse/sapporo-dkh3-dzp index b1e7ce4852..985f4e1edd 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP version number 1 # Description: Sapporo-DKH3-DZP [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012 b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012 index 51aff78256..54cf96f44e 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012 +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP-2012 version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-autoaux b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-autoaux index 63d72356c6..d375623cc2 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP-2012 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse index 6a74b8ede8..3c4f29c87b 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP-2012-diffuse version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse-autoaux index 840d8639c4..b4abd4bf7c 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-2012-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP-2012-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-autoaux b/src/basis/libraries.bse/sapporo-dkh3-dzp-autoaux index 58bc50e562..af2c54e531 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse b/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse index c742b67809..48c6beaea0 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP-diffuse version number 1 # Description: Sapporo-DKH3-DZP-diffuse [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse-autoaux index 8184aa02c0..013a67922d 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-dzp-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-DZP-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp b/src/basis/libraries.bse/sapporo-dkh3-qzp index aaccdc354f..b277f34248 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP version number 1 # Description: Sapporo-DKH3-QZP [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012 b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012 index ea460a02ad..acb522a66c 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012 +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP-2012 version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-autoaux b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-autoaux index 49b4846014..aa18c72610 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP-2012 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse index 78ef7929ae..8d146241a0 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP-2012-diffuse version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse-autoaux index be01d6efbf..3b8f589efe 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-2012-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP-2012-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-autoaux b/src/basis/libraries.bse/sapporo-dkh3-qzp-autoaux index e26897a593..93bcecf640 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse b/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse index 6b0c452816..1658f8b598 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP-diffuse version number 1 # Description: Sapporo-DKH3-QZP-diffuse [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse-autoaux index 348dc7dfa3..8f85f77857 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-qzp-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-QZP-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp b/src/basis/libraries.bse/sapporo-dkh3-tzp index 8ad1b7dc66..e7a3349f33 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP version number 1 # Description: Sapporo-DKH3-TZP [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012 b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012 index ef4f223ba8..e7c1a0fd3d 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012 +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP-2012 version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-autoaux b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-autoaux index f60022c385..109ff1522a 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP-2012 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse index 31c50e94bc..224f421b3f 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP-2012-diffuse version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse-autoaux index ecc559483b..216c0e23f8 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-2012-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP-2012-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-autoaux b/src/basis/libraries.bse/sapporo-dkh3-tzp-autoaux index 6ccf8b6d37..a412371577 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse b/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse index 572f6514ad..8a88417d44 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP-diffuse version number 1 # Description: Sapporo-DKH3-TZP-diffuse [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse-autoaux index 87015e0cce..eb5046e636 100644 --- a/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dkh3-tzp-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DKH3-TZP-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dzp b/src/basis/libraries.bse/sapporo-dzp index 8366e9648e..6d54e63b4b 100644 --- a/src/basis/libraries.bse/sapporo-dzp +++ b/src/basis/libraries.bse/sapporo-dzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP version number 1 # Description: Sapporo-DZP [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dzp-2012 b/src/basis/libraries.bse/sapporo-dzp-2012 index 88fd441d4d..794c7b8408 100644 --- a/src/basis/libraries.bse/sapporo-dzp-2012 +++ b/src/basis/libraries.bse/sapporo-dzp-2012 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP-2012 version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dzp-2012-autoaux b/src/basis/libraries.bse/sapporo-dzp-2012-autoaux index b9ca990019..21cbc3e62c 100644 --- a/src/basis/libraries.bse/sapporo-dzp-2012-autoaux +++ b/src/basis/libraries.bse/sapporo-dzp-2012-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP-2012 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dzp-2012-diffuse b/src/basis/libraries.bse/sapporo-dzp-2012-diffuse index eb88bbe5e4..ffc23e10a5 100644 --- a/src/basis/libraries.bse/sapporo-dzp-2012-diffuse +++ b/src/basis/libraries.bse/sapporo-dzp-2012-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP-2012-diffuse version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dzp-2012-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dzp-2012-diffuse-autoaux index 8bda47249b..02412af459 100644 --- a/src/basis/libraries.bse/sapporo-dzp-2012-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dzp-2012-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP-2012-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dzp-autoaux b/src/basis/libraries.bse/sapporo-dzp-autoaux index 90f56cdf57..e5330b4b86 100644 --- a/src/basis/libraries.bse/sapporo-dzp-autoaux +++ b/src/basis/libraries.bse/sapporo-dzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-dzp-diffuse b/src/basis/libraries.bse/sapporo-dzp-diffuse index 7c1ff02a42..d2a660718e 100644 --- a/src/basis/libraries.bse/sapporo-dzp-diffuse +++ b/src/basis/libraries.bse/sapporo-dzp-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP-diffuse version number 1 # Description: Sapporo-DZP-diffuse [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-dzp-diffuse-autoaux b/src/basis/libraries.bse/sapporo-dzp-diffuse-autoaux index 1dd81d6ccd..61dff26a50 100644 --- a/src/basis/libraries.bse/sapporo-dzp-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-dzp-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-DZP-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-qzp b/src/basis/libraries.bse/sapporo-qzp index 0c62b564b8..626396fb4c 100644 --- a/src/basis/libraries.bse/sapporo-qzp +++ b/src/basis/libraries.bse/sapporo-qzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP version number 1 # Description: Sapporo-QZP [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-qzp-2012 b/src/basis/libraries.bse/sapporo-qzp-2012 index 21df4cb7c2..4f24abf339 100644 --- a/src/basis/libraries.bse/sapporo-qzp-2012 +++ b/src/basis/libraries.bse/sapporo-qzp-2012 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP-2012 version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-qzp-2012-autoaux b/src/basis/libraries.bse/sapporo-qzp-2012-autoaux index 37767b12d5..f611eb457e 100644 --- a/src/basis/libraries.bse/sapporo-qzp-2012-autoaux +++ b/src/basis/libraries.bse/sapporo-qzp-2012-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP-2012 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-qzp-2012-diffuse b/src/basis/libraries.bse/sapporo-qzp-2012-diffuse index 9392314730..61adae3cc5 100644 --- a/src/basis/libraries.bse/sapporo-qzp-2012-diffuse +++ b/src/basis/libraries.bse/sapporo-qzp-2012-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP-2012-diffuse version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-qzp-2012-diffuse-autoaux b/src/basis/libraries.bse/sapporo-qzp-2012-diffuse-autoaux index 966ed1c951..d1c65ff848 100644 --- a/src/basis/libraries.bse/sapporo-qzp-2012-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-qzp-2012-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP-2012-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-qzp-autoaux b/src/basis/libraries.bse/sapporo-qzp-autoaux index 8805d7f1b0..cd6eeb84af 100644 --- a/src/basis/libraries.bse/sapporo-qzp-autoaux +++ b/src/basis/libraries.bse/sapporo-qzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-qzp-diffuse b/src/basis/libraries.bse/sapporo-qzp-diffuse index 6b74336312..4678e1d97f 100644 --- a/src/basis/libraries.bse/sapporo-qzp-diffuse +++ b/src/basis/libraries.bse/sapporo-qzp-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP-diffuse version number 1 # Description: Sapporo-QZP-diffuse [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-qzp-diffuse-autoaux b/src/basis/libraries.bse/sapporo-qzp-diffuse-autoaux index 0d3cbd6590..1ec351a82f 100644 --- a/src/basis/libraries.bse/sapporo-qzp-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-qzp-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-QZP-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-tzp b/src/basis/libraries.bse/sapporo-tzp index 6f8c2a3fea..263c733a86 100644 --- a/src/basis/libraries.bse/sapporo-tzp +++ b/src/basis/libraries.bse/sapporo-tzp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP version number 1 # Description: Sapporo-TZP [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-tzp-2012 b/src/basis/libraries.bse/sapporo-tzp-2012 index c05dab4b4c..fde0095d17 100644 --- a/src/basis/libraries.bse/sapporo-tzp-2012 +++ b/src/basis/libraries.bse/sapporo-tzp-2012 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP-2012 version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-tzp-2012-autoaux b/src/basis/libraries.bse/sapporo-tzp-2012-autoaux index 25de86b9c1..c192003cfe 100644 --- a/src/basis/libraries.bse/sapporo-tzp-2012-autoaux +++ b/src/basis/libraries.bse/sapporo-tzp-2012-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP-2012 version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-tzp-2012-diffuse b/src/basis/libraries.bse/sapporo-tzp-2012-diffuse index 1d2992c471..40b8da4a1c 100644 --- a/src/basis/libraries.bse/sapporo-tzp-2012-diffuse +++ b/src/basis/libraries.bse/sapporo-tzp-2012-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP-2012-diffuse version number 1 # Description: # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-tzp-2012-diffuse-autoaux b/src/basis/libraries.bse/sapporo-tzp-2012-diffuse-autoaux index 39d1f7e9cb..eda030ba34 100644 --- a/src/basis/libraries.bse/sapporo-tzp-2012-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-tzp-2012-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP-2012-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-tzp-autoaux b/src/basis/libraries.bse/sapporo-tzp-autoaux index 668d53ec7d..cc1a4894d9 100644 --- a/src/basis/libraries.bse/sapporo-tzp-autoaux +++ b/src/basis/libraries.bse/sapporo-tzp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sapporo-tzp-diffuse b/src/basis/libraries.bse/sapporo-tzp-diffuse index 508e812364..0b8b8e27a4 100644 --- a/src/basis/libraries.bse/sapporo-tzp-diffuse +++ b/src/basis/libraries.bse/sapporo-tzp-diffuse @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP-diffuse version number 1 # Description: Sapporo-TZP-diffuse [deprecated] # Role: orbital diff --git a/src/basis/libraries.bse/sapporo-tzp-diffuse-autoaux b/src/basis/libraries.bse/sapporo-tzp-diffuse-autoaux index b48c801903..ce33611895 100644 --- a/src/basis/libraries.bse/sapporo-tzp-diffuse-autoaux +++ b/src/basis/libraries.bse/sapporo-tzp-diffuse-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Sapporo-TZP-diffuse version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc-dkh2 b/src/basis/libraries.bse/sarc-dkh2 index 724cb8d0ce..9b15f3d953 100644 --- a/src/basis/libraries.bse/sarc-dkh2 +++ b/src/basis/libraries.bse/sarc-dkh2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC-DKH2 version number 0 # Description: SARC-DKH2 # Role: orbital diff --git a/src/basis/libraries.bse/sarc-dkh2-autoaux b/src/basis/libraries.bse/sarc-dkh2-autoaux index 6c12dc9321..d267f6ce20 100644 --- a/src/basis/libraries.bse/sarc-dkh2-autoaux +++ b/src/basis/libraries.bse/sarc-dkh2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC-DKH2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc-zora b/src/basis/libraries.bse/sarc-zora index 11be6c284e..61b5699b54 100644 --- a/src/basis/libraries.bse/sarc-zora +++ b/src/basis/libraries.bse/sarc-zora @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC-ZORA version number 0 # Description: SARC-ZORA # Role: orbital diff --git a/src/basis/libraries.bse/sarc-zora-autoaux b/src/basis/libraries.bse/sarc-zora-autoaux index cacc83d219..85a554e2bb 100644 --- a/src/basis/libraries.bse/sarc-zora-autoaux +++ b/src/basis/libraries.bse/sarc-zora-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC-ZORA version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc2-qzv-dkh2 b/src/basis/libraries.bse/sarc2-qzv-dkh2 index 57cebeb693..c676dc73e3 100644 --- a/src/basis/libraries.bse/sarc2-qzv-dkh2 +++ b/src/basis/libraries.bse/sarc2-qzv-dkh2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZV-DKH2 version number 0 # Description: SARC2-QZV-DKH2 # Role: orbital diff --git a/src/basis/libraries.bse/sarc2-qzv-dkh2-autoaux b/src/basis/libraries.bse/sarc2-qzv-dkh2-autoaux index 994734c361..415f703ce4 100644 --- a/src/basis/libraries.bse/sarc2-qzv-dkh2-autoaux +++ b/src/basis/libraries.bse/sarc2-qzv-dkh2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZV-DKH2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc2-qzv-dkh2-jkfit b/src/basis/libraries.bse/sarc2-qzv-dkh2-jkfit index 41c9a99b78..28dc8ef28e 100644 --- a/src/basis/libraries.bse/sarc2-qzv-dkh2-jkfit +++ b/src/basis/libraries.bse/sarc2-qzv-dkh2-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZV-DKH2-JKFIT version number 0 # Description: JK fitting basis for use with SARC2-QZV-DKH2 # Role: jkfit diff --git a/src/basis/libraries.bse/sarc2-qzv-zora b/src/basis/libraries.bse/sarc2-qzv-zora index 2bbe6963f2..3c7c5e4305 100644 --- a/src/basis/libraries.bse/sarc2-qzv-zora +++ b/src/basis/libraries.bse/sarc2-qzv-zora @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZV-ZORA version number 0 # Description: SARC2-QZV-ZORA # Role: orbital diff --git a/src/basis/libraries.bse/sarc2-qzv-zora-autoaux b/src/basis/libraries.bse/sarc2-qzv-zora-autoaux index ac29de090f..2134fdf35c 100644 --- a/src/basis/libraries.bse/sarc2-qzv-zora-autoaux +++ b/src/basis/libraries.bse/sarc2-qzv-zora-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZV-ZORA version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc2-qzv-zora-jkfit b/src/basis/libraries.bse/sarc2-qzv-zora-jkfit index 3acdde99ea..bcd56e620b 100644 --- a/src/basis/libraries.bse/sarc2-qzv-zora-jkfit +++ b/src/basis/libraries.bse/sarc2-qzv-zora-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZV-ZORA-JKFIT version number 0 # Description: JK fitting basis for use with SARC2-QZV-ZORA # Role: jkfit diff --git a/src/basis/libraries.bse/sarc2-qzvp-dkh2 b/src/basis/libraries.bse/sarc2-qzvp-dkh2 index dfab1d5a8e..df2916dc60 100644 --- a/src/basis/libraries.bse/sarc2-qzvp-dkh2 +++ b/src/basis/libraries.bse/sarc2-qzvp-dkh2 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZVP-DKH2 version number 0 # Description: SARC2-QZVP-DKH2 # Role: orbital diff --git a/src/basis/libraries.bse/sarc2-qzvp-dkh2-autoaux b/src/basis/libraries.bse/sarc2-qzvp-dkh2-autoaux index 9e74435b70..3aa424c1dd 100644 --- a/src/basis/libraries.bse/sarc2-qzvp-dkh2-autoaux +++ b/src/basis/libraries.bse/sarc2-qzvp-dkh2-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZVP-DKH2 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc2-qzvp-dkh2-jkfit b/src/basis/libraries.bse/sarc2-qzvp-dkh2-jkfit index 19e68f0f07..56267b85a1 100644 --- a/src/basis/libraries.bse/sarc2-qzvp-dkh2-jkfit +++ b/src/basis/libraries.bse/sarc2-qzvp-dkh2-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZVP-DKH2-JKFIT version number 0 # Description: JK fitting basis for use with SARC2-QZVP-DKH2 # Role: jkfit diff --git a/src/basis/libraries.bse/sarc2-qzvp-zora b/src/basis/libraries.bse/sarc2-qzvp-zora index 74b6208a79..43f5976506 100644 --- a/src/basis/libraries.bse/sarc2-qzvp-zora +++ b/src/basis/libraries.bse/sarc2-qzvp-zora @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZVP-ZORA version number 0 # Description: SARC2-QZVP-ZORA: Polarized Quadruple Z Valence # Role: orbital diff --git a/src/basis/libraries.bse/sarc2-qzvp-zora-autoaux b/src/basis/libraries.bse/sarc2-qzvp-zora-autoaux index 7e04b46c17..e62bae2154 100644 --- a/src/basis/libraries.bse/sarc2-qzvp-zora-autoaux +++ b/src/basis/libraries.bse/sarc2-qzvp-zora-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZVP-ZORA version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sarc2-qzvp-zora-jkfit b/src/basis/libraries.bse/sarc2-qzvp-zora-jkfit index 06b126f9b1..fec370a960 100644 --- a/src/basis/libraries.bse/sarc2-qzvp-zora-jkfit +++ b/src/basis/libraries.bse/sarc2-qzvp-zora-jkfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SARC2-QZVP-ZORA-JKFIT version number 0 # Description: JK fitting basis for use with SARC2-QZVP-ZORA # Role: jkfit diff --git a/src/basis/libraries.bse/sbkjc-ecp b/src/basis/libraries.bse/sbkjc-ecp index 0da8146e76..11d7dfd4bd 100644 --- a/src/basis/libraries.bse/sbkjc-ecp +++ b/src/basis/libraries.bse/sbkjc-ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBKJC-ECP version number 0 # Description: SBKJC ECP # Role: orbital diff --git a/src/basis/libraries.bse/sbkjc-ecp-autoaux b/src/basis/libraries.bse/sbkjc-ecp-autoaux index 7f77d4049e..44eb1df1b3 100644 --- a/src/basis/libraries.bse/sbkjc-ecp-autoaux +++ b/src/basis/libraries.bse/sbkjc-ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBKJC-ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sbkjc-vdz b/src/basis/libraries.bse/sbkjc-vdz index 163704afb9..f8d39638b2 100644 --- a/src/basis/libraries.bse/sbkjc-vdz +++ b/src/basis/libraries.bse/sbkjc-vdz @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBKJC-VDZ version number 0 # Description: VDZ Valence Double Zeta with ECP # Role: orbital diff --git a/src/basis/libraries.bse/sbkjc-vdz-autoaux b/src/basis/libraries.bse/sbkjc-vdz-autoaux index 6924c37a39..bebdb03482 100644 --- a/src/basis/libraries.bse/sbkjc-vdz-autoaux +++ b/src/basis/libraries.bse/sbkjc-vdz-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBKJC-VDZ version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk b/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk index 1ceb45a0b7..398191349a 100644 --- a/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk +++ b/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBKJC Polarized (p,2d) - LFK version number 0 # Description: SBKJC Polarized (p,2d) - LFK # Role: orbital diff --git a/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk-autoaux b/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk-autoaux index 6e4ac75c65..5f476f09eb 100644 --- a/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk-autoaux +++ b/src/basis/libraries.bse/sbkjc_polarized_p_2d_-_lfk-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBKJC Polarized (p,2d) - LFK version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sbo4-dzd-3g b/src/basis/libraries.bse/sbo4-dzd-3g index 78ffc7fe33..aa2b613abc 100644 --- a/src/basis/libraries.bse/sbo4-dzd-3g +++ b/src/basis/libraries.bse/sbo4-dzd-3g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBO4-DZ(d)-3G version number 1 # Description: SBO4-DZ(d,p)-3G Double-zeta expansion of simplified box orbitals # Role: orbital diff --git a/src/basis/libraries.bse/sbo4-dzd-3g-autoaux b/src/basis/libraries.bse/sbo4-dzd-3g-autoaux index 06552282a3..49bae70da3 100644 --- a/src/basis/libraries.bse/sbo4-dzd-3g-autoaux +++ b/src/basis/libraries.bse/sbo4-dzd-3g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBO4-DZ(d)-3G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sbo4-dzd_p-3g b/src/basis/libraries.bse/sbo4-dzd_p-3g index 7685a70d56..4c2813ad41 100644 --- a/src/basis/libraries.bse/sbo4-dzd_p-3g +++ b/src/basis/libraries.bse/sbo4-dzd_p-3g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBO4-DZ(d,p)-3G version number 1 # Description: SBO4-DZ(d,p)-3G Double-zeta expansion of simplified box orbitals # Role: orbital diff --git a/src/basis/libraries.bse/sbo4-dzd_p-3g-autoaux b/src/basis/libraries.bse/sbo4-dzd_p-3g-autoaux index 68d5065648..b2eeb933a4 100644 --- a/src/basis/libraries.bse/sbo4-dzd_p-3g-autoaux +++ b/src/basis/libraries.bse/sbo4-dzd_p-3g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBO4-DZ(d,p)-3G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sbo4-sz-3g b/src/basis/libraries.bse/sbo4-sz-3g index 0d7785353f..04322668dd 100644 --- a/src/basis/libraries.bse/sbo4-sz-3g +++ b/src/basis/libraries.bse/sbo4-sz-3g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBO4-SZ-3G version number 1 # Description: SBO4-SZ-3G Single-zeta expansion of simplified box orbitals # Role: orbital diff --git a/src/basis/libraries.bse/sbo4-sz-3g-autoaux b/src/basis/libraries.bse/sbo4-sz-3g-autoaux index 2624fdc87d..db46a5884f 100644 --- a/src/basis/libraries.bse/sbo4-sz-3g-autoaux +++ b/src/basis/libraries.bse/sbo4-sz-3g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SBO4-SZ-3G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/scaled_mini b/src/basis/libraries.bse/scaled_mini index 5d3d203de0..2e300d81de 100644 --- a/src/basis/libraries.bse/scaled_mini +++ b/src/basis/libraries.bse/scaled_mini @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Scaled MINI version number 0 # Description: Huzinaga Scaled MINI # Role: orbital diff --git a/src/basis/libraries.bse/scaled_mini-autoaux b/src/basis/libraries.bse/scaled_mini-autoaux index 43e8d103eb..fd7dc8d9ef 100644 --- a/src/basis/libraries.bse/scaled_mini-autoaux +++ b/src/basis/libraries.bse/scaled_mini-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Scaled MINI version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sto-2g b/src/basis/libraries.bse/sto-2g index 61eb984862..7874d0a41a 100644 --- a/src/basis/libraries.bse/sto-2g +++ b/src/basis/libraries.bse/sto-2g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-2G version number 1 # Description: STO-2G Minimal Basis (2 functions/AO) # Role: orbital diff --git a/src/basis/libraries.bse/sto-2g-autoaux b/src/basis/libraries.bse/sto-2g-autoaux index 3ff6063af2..a388e0b4e9 100644 --- a/src/basis/libraries.bse/sto-2g-autoaux +++ b/src/basis/libraries.bse/sto-2g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-2G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sto-3g b/src/basis/libraries.bse/sto-3g index c68d030add..a94b0f09c2 100644 --- a/src/basis/libraries.bse/sto-3g +++ b/src/basis/libraries.bse/sto-3g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-3G version number 1 # Description: STO-3G Minimal Basis (3 functions/AO) # Role: orbital diff --git a/src/basis/libraries.bse/sto-3g-autoaux b/src/basis/libraries.bse/sto-3g-autoaux index 8b65b1ed87..381d2dade8 100644 --- a/src/basis/libraries.bse/sto-3g-autoaux +++ b/src/basis/libraries.bse/sto-3g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-3G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sto-3gs b/src/basis/libraries.bse/sto-3gs index 5805be9d06..e0ba544be9 100644 --- a/src/basis/libraries.bse/sto-3gs +++ b/src/basis/libraries.bse/sto-3gs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-3G* version number 1 # Description: MBP Minimal Basis + Polarization on second row # Role: orbital diff --git a/src/basis/libraries.bse/sto-3gs-autoaux b/src/basis/libraries.bse/sto-3gs-autoaux index e62ecbe0fb..7388fea902 100644 --- a/src/basis/libraries.bse/sto-3gs-autoaux +++ b/src/basis/libraries.bse/sto-3gs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-3G* version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sto-4g b/src/basis/libraries.bse/sto-4g index dc21f72e98..0481249df0 100644 --- a/src/basis/libraries.bse/sto-4g +++ b/src/basis/libraries.bse/sto-4g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-4G version number 1 # Description: STO-4G Minimal Basis (4 functions/AO) # Role: orbital diff --git a/src/basis/libraries.bse/sto-4g-autoaux b/src/basis/libraries.bse/sto-4g-autoaux index b73ee7fce1..01fcd276ce 100644 --- a/src/basis/libraries.bse/sto-4g-autoaux +++ b/src/basis/libraries.bse/sto-4g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-4G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sto-5g b/src/basis/libraries.bse/sto-5g index ec511a167b..501d3fefd4 100644 --- a/src/basis/libraries.bse/sto-5g +++ b/src/basis/libraries.bse/sto-5g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-5G version number 1 # Description: STO-5G Minimal Basis (5 functions/AO) # Role: orbital diff --git a/src/basis/libraries.bse/sto-5g-autoaux b/src/basis/libraries.bse/sto-5g-autoaux index f564bd5859..c96333e656 100644 --- a/src/basis/libraries.bse/sto-5g-autoaux +++ b/src/basis/libraries.bse/sto-5g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-5G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sto-6g b/src/basis/libraries.bse/sto-6g index 739ef60337..675262a437 100644 --- a/src/basis/libraries.bse/sto-6g +++ b/src/basis/libraries.bse/sto-6g @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-6G version number 1 # Description: STO-6G Minimal Basis (6 functions/AO) # Role: orbital diff --git a/src/basis/libraries.bse/sto-6g-autoaux b/src/basis/libraries.bse/sto-6g-autoaux index 2ebdc8f043..7bcd78c561 100644 --- a/src/basis/libraries.bse/sto-6g-autoaux +++ b/src/basis/libraries.bse/sto-6g-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # STO-6G version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/stuttgart_rlc b/src/basis/libraries.bse/stuttgart_rlc index 8dd34db80b..d8c4ecbf54 100644 --- a/src/basis/libraries.bse/stuttgart_rlc +++ b/src/basis/libraries.bse/stuttgart_rlc @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RLC version number 0 # Description: Stuttgart RLC ECP + Valence basis # Role: orbital diff --git a/src/basis/libraries.bse/stuttgart_rlc-autoaux b/src/basis/libraries.bse/stuttgart_rlc-autoaux index a21812dcf8..4f35484a2a 100644 --- a/src/basis/libraries.bse/stuttgart_rlc-autoaux +++ b/src/basis/libraries.bse/stuttgart_rlc-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RLC version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/stuttgart_rlc_ecp b/src/basis/libraries.bse/stuttgart_rlc_ecp index c4e11c6d6b..0a350d7266 100644 --- a/src/basis/libraries.bse/stuttgart_rlc_ecp +++ b/src/basis/libraries.bse/stuttgart_rlc_ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RLC ECP version number 0 # Description: Stuttgart RLC ECP # Role: orbital diff --git a/src/basis/libraries.bse/stuttgart_rlc_ecp-autoaux b/src/basis/libraries.bse/stuttgart_rlc_ecp-autoaux index 57755516bb..aa7a97a2cd 100644 --- a/src/basis/libraries.bse/stuttgart_rlc_ecp-autoaux +++ b/src/basis/libraries.bse/stuttgart_rlc_ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RLC ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/stuttgart_rsc_1997 b/src/basis/libraries.bse/stuttgart_rsc_1997 index e18a6a52e3..c020b288e5 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_1997 +++ b/src/basis/libraries.bse/stuttgart_rsc_1997 @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC 1997 version number 0 # Description: Stuttgart RSC 1997 ECP + Valence basis # Role: orbital diff --git a/src/basis/libraries.bse/stuttgart_rsc_1997-autoaux b/src/basis/libraries.bse/stuttgart_rsc_1997-autoaux index 43d57ed1a5..48f4217797 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_1997-autoaux +++ b/src/basis/libraries.bse/stuttgart_rsc_1997-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC 1997 version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/stuttgart_rsc_1997_ecp b/src/basis/libraries.bse/stuttgart_rsc_1997_ecp index 90401be1a8..6ed4800e43 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_1997_ecp +++ b/src/basis/libraries.bse/stuttgart_rsc_1997_ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC 1997 ECP version number 0 # Description: Stuttgart RSC 1997 ECP # Role: orbital diff --git a/src/basis/libraries.bse/stuttgart_rsc_1997_ecp-autoaux b/src/basis/libraries.bse/stuttgart_rsc_1997_ecp-autoaux index ae7b2338f9..9aff99a7de 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_1997_ecp-autoaux +++ b/src/basis/libraries.bse/stuttgart_rsc_1997_ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC 1997 ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/stuttgart_rsc_ano b/src/basis/libraries.bse/stuttgart_rsc_ano index 56fb23c9ea..ab9d9fa1b0 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_ano +++ b/src/basis/libraries.bse/stuttgart_rsc_ano @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC ANO version number 0 # Description: Stuttgart RSC 1997 + Quadruple Zeta Basis Set designed for an ECP # Role: orbital diff --git a/src/basis/libraries.bse/stuttgart_rsc_ano-autoaux b/src/basis/libraries.bse/stuttgart_rsc_ano-autoaux index 91b31ce1f4..1822ef169b 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_ano-autoaux +++ b/src/basis/libraries.bse/stuttgart_rsc_ano-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC ANO version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp b/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp index 41ad6ced77..b40208271e 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp +++ b/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC Segmented + ECP version number 0 # Description: Stuttgart RSC 1997 + Quadruple Zeta Basis Set designed for an ECP # Role: orbital diff --git a/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp-autoaux b/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp-autoaux index 9bfe250ef4..607e3ca3ca 100644 --- a/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp-autoaux +++ b/src/basis/libraries.bse/stuttgart_rsc_segmented_+_ecp-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Stuttgart RSC Segmented + ECP version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay b/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay index 0eeaa3726c..98b5d98ae4 100644 --- a/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay +++ b/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SV + Double Rydberg (Dunning-Hay) version number 0 # Description: VDZ2R Valence Double Zeta + Double Rydberg Functions # Role: orbital diff --git a/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay-autoaux index ded20eca99..d7ed4c3e09 100644 --- a/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/sv_+_double_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SV + Double Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sv_+_rydberg_dunning-hay b/src/basis/libraries.bse/sv_+_rydberg_dunning-hay index de48f7a16c..35656e9bf5 100644 --- a/src/basis/libraries.bse/sv_+_rydberg_dunning-hay +++ b/src/basis/libraries.bse/sv_+_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SV + Rydberg (Dunning-Hay) version number 0 # Description: VDZ1R Valence Double Zeta + Diffuse Rydberg Functions # Role: orbital diff --git a/src/basis/libraries.bse/sv_+_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/sv_+_rydberg_dunning-hay-autoaux index d665a9928e..fce2076151 100644 --- a/src/basis/libraries.bse/sv_+_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/sv_+_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SV + Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/sv_dunning-hay b/src/basis/libraries.bse/sv_dunning-hay index b2c616e143..0ebb0b5f81 100644 --- a/src/basis/libraries.bse/sv_dunning-hay +++ b/src/basis/libraries.bse/sv_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SV (Dunning-Hay) version number 0 # Description: VDZ Valence Double Zeta: 2 Funct.'s/Valence AO # Role: orbital diff --git a/src/basis/libraries.bse/sv_dunning-hay-autoaux b/src/basis/libraries.bse/sv_dunning-hay-autoaux index 8a72d96c7b..8432d451eb 100644 --- a/src/basis/libraries.bse/sv_dunning-hay-autoaux +++ b/src/basis/libraries.bse/sv_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SV (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay b/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay index 4d2af2386c..e1b2156d05 100644 --- a/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay +++ b/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP + Diffuse + Rydberg (Dunning-Hay) version number 0 # Description: VDZPD1R Valence Double Zeta + Polar. + Diffuse + Rydberg # Role: orbital diff --git a/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay-autoaux index e0184543f4..4360bc5b46 100644 --- a/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/svp_+_diffuse_+_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP + Diffuse + Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/svp_+_diffuse_dunning-hay b/src/basis/libraries.bse/svp_+_diffuse_dunning-hay index 1cc6587652..97e88a5eee 100644 --- a/src/basis/libraries.bse/svp_+_diffuse_dunning-hay +++ b/src/basis/libraries.bse/svp_+_diffuse_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP + Diffuse (Dunning-Hay) version number 0 # Description: VDZPD Valence Double Zeta + Polarization + Diffuse # Role: orbital diff --git a/src/basis/libraries.bse/svp_+_diffuse_dunning-hay-autoaux b/src/basis/libraries.bse/svp_+_diffuse_dunning-hay-autoaux index 2f52bd1c50..1fe9271dbc 100644 --- a/src/basis/libraries.bse/svp_+_diffuse_dunning-hay-autoaux +++ b/src/basis/libraries.bse/svp_+_diffuse_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP + Diffuse (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/svp_+_rydberg_dunning-hay b/src/basis/libraries.bse/svp_+_rydberg_dunning-hay index 111c3d4c44..bc2a717b42 100644 --- a/src/basis/libraries.bse/svp_+_rydberg_dunning-hay +++ b/src/basis/libraries.bse/svp_+_rydberg_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP + Rydberg (Dunning-Hay) version number 0 # Description: VDZP1R Valence Double Zeta + Polarization + Rydberg # Role: orbital diff --git a/src/basis/libraries.bse/svp_+_rydberg_dunning-hay-autoaux b/src/basis/libraries.bse/svp_+_rydberg_dunning-hay-autoaux index 37f50ed23b..6da4e4371f 100644 --- a/src/basis/libraries.bse/svp_+_rydberg_dunning-hay-autoaux +++ b/src/basis/libraries.bse/svp_+_rydberg_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP + Rydberg (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/svp_dunning-hay b/src/basis/libraries.bse/svp_dunning-hay index f6ebf855f0..ac00805bd2 100644 --- a/src/basis/libraries.bse/svp_dunning-hay +++ b/src/basis/libraries.bse/svp_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP (Dunning-Hay) version number 0 # Description: VDZP Valence Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/svp_dunning-hay-autoaux b/src/basis/libraries.bse/svp_dunning-hay-autoaux index 531d751e2c..1c086812fc 100644 --- a/src/basis/libraries.bse/svp_dunning-hay-autoaux +++ b/src/basis/libraries.bse/svp_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # SVP (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/tz_dunning-hay b/src/basis/libraries.bse/tz_dunning-hay index eabb7b6010..503e47cad0 100644 --- a/src/basis/libraries.bse/tz_dunning-hay +++ b/src/basis/libraries.bse/tz_dunning-hay @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # TZ (Dunning-Hay) version number 0 # Description: TZ (Dunning-Hay) # Role: orbital diff --git a/src/basis/libraries.bse/tz_dunning-hay-autoaux b/src/basis/libraries.bse/tz_dunning-hay-autoaux index a8738f7f3f..b7bffb795b 100644 --- a/src/basis/libraries.bse/tz_dunning-hay-autoaux +++ b/src/basis/libraries.bse/tz_dunning-hay-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # TZ (Dunning-Hay) version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/tzp-zora b/src/basis/libraries.bse/tzp-zora index 6bc78333a5..2ccc2cad80 100644 --- a/src/basis/libraries.bse/tzp-zora +++ b/src/basis/libraries.bse/tzp-zora @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # TZP-ZORA version number 1 # Description: TZP-ZORA, all-electron triple-zeta basis for calculations with the ZORA approach # Role: orbital diff --git a/src/basis/libraries.bse/tzp-zora-autoaux b/src/basis/libraries.bse/tzp-zora-autoaux index 6b77111848..c88af77a4d 100644 --- a/src/basis/libraries.bse/tzp-zora-autoaux +++ b/src/basis/libraries.bse/tzp-zora-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # TZP-ZORA version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/ugbs b/src/basis/libraries.bse/ugbs index d676a80607..dac75d89f1 100644 --- a/src/basis/libraries.bse/ugbs +++ b/src/basis/libraries.bse/ugbs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # UGBS version number 0 # Description: Universal Gaussian Basis Set # Role: orbital diff --git a/src/basis/libraries.bse/ugbs-autoaux b/src/basis/libraries.bse/ugbs-autoaux index 07d3afbe0b..283d6e3812 100644 --- a/src/basis/libraries.bse/ugbs-autoaux +++ b/src/basis/libraries.bse/ugbs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # UGBS version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/un-ccemd-ref b/src/basis/libraries.bse/un-ccemd-ref index 7c646b7480..94556611c9 100644 --- a/src/basis/libraries.bse/un-ccemd-ref +++ b/src/basis/libraries.bse/un-ccemd-ref @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # un-ccemd-ref version number 0 # Description: un-ccemd-ref: uncontracted correlation consistent electron momentum density-ref # Role: orbital diff --git a/src/basis/libraries.bse/un-ccemd-ref-autoaux b/src/basis/libraries.bse/un-ccemd-ref-autoaux index ede9e27789..629bcb4b93 100644 --- a/src/basis/libraries.bse/un-ccemd-ref-autoaux +++ b/src/basis/libraries.bse/un-ccemd-ref-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # un-ccemd-ref version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/un-pcemd-ref b/src/basis/libraries.bse/un-pcemd-ref index 35b91d7177..973ce2109b 100644 --- a/src/basis/libraries.bse/un-pcemd-ref +++ b/src/basis/libraries.bse/un-pcemd-ref @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # un-pcemd-ref version number 0 # Description: un-pcemd-ref: uncontracted polarization consistent electron momentum density-ref # Role: orbital diff --git a/src/basis/libraries.bse/un-pcemd-ref-autoaux b/src/basis/libraries.bse/un-pcemd-ref-autoaux index 3c1d68c931..ea2d94c153 100644 --- a/src/basis/libraries.bse/un-pcemd-ref-autoaux +++ b/src/basis/libraries.bse/un-pcemd-ref-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # un-pcemd-ref version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/wachters+f b/src/basis/libraries.bse/wachters+f index 93c9ef8b97..44580ec485 100644 --- a/src/basis/libraries.bse/wachters+f +++ b/src/basis/libraries.bse/wachters+f @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Wachters+f version number 0 # Description: VDZP Valence Double Zeta + Polarization on All Atoms # Role: orbital diff --git a/src/basis/libraries.bse/wachters+f-autoaux b/src/basis/libraries.bse/wachters+f-autoaux index cbfb699a19..ac67f453fa 100644 --- a/src/basis/libraries.bse/wachters+f-autoaux +++ b/src/basis/libraries.bse/wachters+f-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # Wachters+f version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/wtbs b/src/basis/libraries.bse/wtbs index f21e0f4cab..c8798c230e 100644 --- a/src/basis/libraries.bse/wtbs +++ b/src/basis/libraries.bse/wtbs @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # WTBS version number 0 # Description: MB Minimal Basis: 1 Function/AO # Role: orbital diff --git a/src/basis/libraries.bse/wtbs-autoaux b/src/basis/libraries.bse/wtbs-autoaux index 6aed0b3b74..ff76a8fd76 100644 --- a/src/basis/libraries.bse/wtbs-autoaux +++ b/src/basis/libraries.bse/wtbs-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # WTBS version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-jfit b/src/basis/libraries.bse/x2c-jfit index 71b7e26a3c..e164b90cf2 100644 --- a/src/basis/libraries.bse/x2c-jfit +++ b/src/basis/libraries.bse/x2c-jfit @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-JFIT version number 1 # Description: x2c coulomb fitting # Role: jfit diff --git a/src/basis/libraries.bse/x2c-jfit-universal b/src/basis/libraries.bse/x2c-jfit-universal index 34957dbbf5..fa6163c827 100644 --- a/src/basis/libraries.bse/x2c-jfit-universal +++ b/src/basis/libraries.bse/x2c-jfit-universal @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-JFIT-universal version number 1 # Description: x2c coulomb fitting # Role: jfit diff --git a/src/basis/libraries.bse/x2c-qzvpall b/src/basis/libraries.bse/x2c-qzvpall index fe55a5ea36..6fb7842e24 100644 --- a/src/basis/libraries.bse/x2c-qzvpall +++ b/src/basis/libraries.bse/x2c-qzvpall @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall version number 1 -# Description: All-electron relativistic polarized quadruple-zeta basis for two-component calculations +# Description: All-electron relativistic polarized quadruple-zeta basis for one-component calculations # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvpall-2c b/src/basis/libraries.bse/x2c-qzvpall-2c index d9e0cf04b8..43957c8442 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-2c +++ b/src/basis/libraries.bse/x2c-qzvpall-2c @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall-2c version number 1 -# Description: All-electron relativistic polarized quadruple-zeta basis for one-component calculations +# Description: All-electron relativistic polarized quadruple-zeta basis for two-component calculations # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvpall-2c-autoaux b/src/basis/libraries.bse/x2c-qzvpall-2c-autoaux index 9aa06a105d..c87a0f3751 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-2c-autoaux +++ b/src/basis/libraries.bse/x2c-qzvpall-2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall-2c version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvpall-2c-s b/src/basis/libraries.bse/x2c-qzvpall-2c-s index 1acced47dc..c0e1c343ef 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-2c-s +++ b/src/basis/libraries.bse/x2c-qzvpall-2c-s @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall-2c-s version number 1 -# Description: All-electron relativistic polarized quadruple-zeta basis for one-component calculations of NMR shielding +# Description: All-electron relativistic polarized quadruple-zeta basis for two-component calculations of NMR shielding # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvpall-2c-s-autoaux b/src/basis/libraries.bse/x2c-qzvpall-2c-s-autoaux index 8018dacd89..802795d4c3 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-2c-s-autoaux +++ b/src/basis/libraries.bse/x2c-qzvpall-2c-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall-2c-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvpall-autoaux b/src/basis/libraries.bse/x2c-qzvpall-autoaux index e0adbbb64b..4c0bf746e5 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-autoaux +++ b/src/basis/libraries.bse/x2c-qzvpall-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvpall-s b/src/basis/libraries.bse/x2c-qzvpall-s index 6e36cbf1e6..dfa77dc977 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-s +++ b/src/basis/libraries.bse/x2c-qzvpall-s @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall-s version number 1 -# Description: All-electron relativistic polarized quadruple-zeta basis for two-component calculations of NMR shielding +# Description: All-electron relativistic polarized quadruple-zeta basis for one-component calculations of NMR shielding # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvpall-s-autoaux b/src/basis/libraries.bse/x2c-qzvpall-s-autoaux index bf36d80d73..5bc0bde2f7 100644 --- a/src/basis/libraries.bse/x2c-qzvpall-s-autoaux +++ b/src/basis/libraries.bse/x2c-qzvpall-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPall-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvppall b/src/basis/libraries.bse/x2c-qzvppall index 187cc0138e..2f4b3e81f2 100644 --- a/src/basis/libraries.bse/x2c-qzvppall +++ b/src/basis/libraries.bse/x2c-qzvppall @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall version number 1 -# Description: All-electron relativistic doubly polarized quadruple-zeta basis for two-component calculations +# Description: All-electron relativistic doubly polarized quadruple-zeta basis for one-component calculations # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvppall-2c b/src/basis/libraries.bse/x2c-qzvppall-2c index 0440a9b724..f076231880 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-2c +++ b/src/basis/libraries.bse/x2c-qzvppall-2c @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall-2c version number 1 -# Description: All-electron relativistic doubly polarized quadruple-zeta basis for one-component calculations +# Description: All-electron relativistic doubly polarized quadruple-zeta basis for two-component calculations # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvppall-2c-autoaux b/src/basis/libraries.bse/x2c-qzvppall-2c-autoaux index 409b26023c..24ebeece45 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-2c-autoaux +++ b/src/basis/libraries.bse/x2c-qzvppall-2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall-2c version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvppall-2c-s b/src/basis/libraries.bse/x2c-qzvppall-2c-s index 05e116e7cd..d013063d40 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-2c-s +++ b/src/basis/libraries.bse/x2c-qzvppall-2c-s @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall-2c-s version number 1 -# Description: All-electron relativistic doubly polarized quadruple-zeta basis for one-component calculations of NMR shielding +# Description: All-electron relativistic doubly polarized quadruple-zeta basis for two-component calculations of NMR shielding # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvppall-2c-s-autoaux b/src/basis/libraries.bse/x2c-qzvppall-2c-s-autoaux index 90ed5d580a..9143ff3891 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-2c-s-autoaux +++ b/src/basis/libraries.bse/x2c-qzvppall-2c-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall-2c-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvppall-autoaux b/src/basis/libraries.bse/x2c-qzvppall-autoaux index 6b34bec2cc..5f916d5cc8 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-autoaux +++ b/src/basis/libraries.bse/x2c-qzvppall-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-qzvppall-s b/src/basis/libraries.bse/x2c-qzvppall-s index dfc576a9d0..eb12436d7b 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-s +++ b/src/basis/libraries.bse/x2c-qzvppall-s @@ -1,7 +1,7 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall-s version number 1 -# Description: All-electron relativistic doubly polarized quadruple-zeta basis for two-component calculations of NMR shielding +# Description: All-electron relativistic doubly polarized quadruple-zeta basis for one-component calculations of NMR shielding # Role: orbital # # If you downloaded data from the basis set diff --git a/src/basis/libraries.bse/x2c-qzvppall-s-autoaux b/src/basis/libraries.bse/x2c-qzvppall-s-autoaux index 926463841f..3ae075549e 100644 --- a/src/basis/libraries.bse/x2c-qzvppall-s-autoaux +++ b/src/basis/libraries.bse/x2c-qzvppall-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-QZVPPall-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-svpall b/src/basis/libraries.bse/x2c-svpall index 70a6b8fa49..d7d0d7d0c8 100644 --- a/src/basis/libraries.bse/x2c-svpall +++ b/src/basis/libraries.bse/x2c-svpall @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-SVPall version number 0 # Description: x2c-SVPall # Role: orbital diff --git a/src/basis/libraries.bse/x2c-svpall-2c b/src/basis/libraries.bse/x2c-svpall-2c index 01d03e6417..3a5b3fba94 100644 --- a/src/basis/libraries.bse/x2c-svpall-2c +++ b/src/basis/libraries.bse/x2c-svpall-2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-SVPall-2c version number 0 # Description: x2c-SVPall-2c # Role: orbital diff --git a/src/basis/libraries.bse/x2c-svpall-2c-autoaux b/src/basis/libraries.bse/x2c-svpall-2c-autoaux index 4825ed3479..a652c9d2f7 100644 --- a/src/basis/libraries.bse/x2c-svpall-2c-autoaux +++ b/src/basis/libraries.bse/x2c-svpall-2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-SVPall-2c version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-svpall-autoaux b/src/basis/libraries.bse/x2c-svpall-autoaux index 0a21a40e70..b3f1237805 100644 --- a/src/basis/libraries.bse/x2c-svpall-autoaux +++ b/src/basis/libraries.bse/x2c-svpall-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-SVPall version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-svpall-s b/src/basis/libraries.bse/x2c-svpall-s index 2a0afa40cf..088b462ba1 100644 --- a/src/basis/libraries.bse/x2c-svpall-s +++ b/src/basis/libraries.bse/x2c-svpall-s @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-SVPall-s version number 1 # Description: All-electron relativistic split-valence for NMR shielding # Role: orbital diff --git a/src/basis/libraries.bse/x2c-svpall-s-autoaux b/src/basis/libraries.bse/x2c-svpall-s-autoaux index 4f4a31a76a..d33bb157e4 100644 --- a/src/basis/libraries.bse/x2c-svpall-s-autoaux +++ b/src/basis/libraries.bse/x2c-svpall-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-SVPall-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-tzvpall b/src/basis/libraries.bse/x2c-tzvpall index 0b5e00ecb5..94a71eb33c 100644 --- a/src/basis/libraries.bse/x2c-tzvpall +++ b/src/basis/libraries.bse/x2c-tzvpall @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPall version number 0 # Description: x2c-TZVPall # Role: orbital diff --git a/src/basis/libraries.bse/x2c-tzvpall-2c b/src/basis/libraries.bse/x2c-tzvpall-2c index bff81d5e34..98024c9776 100644 --- a/src/basis/libraries.bse/x2c-tzvpall-2c +++ b/src/basis/libraries.bse/x2c-tzvpall-2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPall-2c version number 0 # Description: x2c-TZVPall-2c # Role: orbital diff --git a/src/basis/libraries.bse/x2c-tzvpall-2c-autoaux b/src/basis/libraries.bse/x2c-tzvpall-2c-autoaux index 48a130d447..1aee9c3dc5 100644 --- a/src/basis/libraries.bse/x2c-tzvpall-2c-autoaux +++ b/src/basis/libraries.bse/x2c-tzvpall-2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPall-2c version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-tzvpall-autoaux b/src/basis/libraries.bse/x2c-tzvpall-autoaux index 62d06f2744..02e5abdce5 100644 --- a/src/basis/libraries.bse/x2c-tzvpall-autoaux +++ b/src/basis/libraries.bse/x2c-tzvpall-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPall version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-tzvpall-s b/src/basis/libraries.bse/x2c-tzvpall-s index 9a100d9653..7611b6db8f 100644 --- a/src/basis/libraries.bse/x2c-tzvpall-s +++ b/src/basis/libraries.bse/x2c-tzvpall-s @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPall-s version number 1 # Description: All-electron relativistic triple-zeta for NMR shielding # Role: orbital diff --git a/src/basis/libraries.bse/x2c-tzvpall-s-autoaux b/src/basis/libraries.bse/x2c-tzvpall-s-autoaux index bd857d3e9a..5cf21d7cb3 100644 --- a/src/basis/libraries.bse/x2c-tzvpall-s-autoaux +++ b/src/basis/libraries.bse/x2c-tzvpall-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPall-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-tzvppall b/src/basis/libraries.bse/x2c-tzvppall index ccefc2a48d..805e4deaba 100644 --- a/src/basis/libraries.bse/x2c-tzvppall +++ b/src/basis/libraries.bse/x2c-tzvppall @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPPall version number 0 # Description: x2c-TZVPPall # Role: orbital diff --git a/src/basis/libraries.bse/x2c-tzvppall-2c b/src/basis/libraries.bse/x2c-tzvppall-2c index db187456a3..a1792b3d03 100644 --- a/src/basis/libraries.bse/x2c-tzvppall-2c +++ b/src/basis/libraries.bse/x2c-tzvppall-2c @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPPall-2c version number 0 # Description: x2c-TZVPPall-2c # Role: orbital diff --git a/src/basis/libraries.bse/x2c-tzvppall-2c-autoaux b/src/basis/libraries.bse/x2c-tzvppall-2c-autoaux index aaa8047720..2ba22c904c 100644 --- a/src/basis/libraries.bse/x2c-tzvppall-2c-autoaux +++ b/src/basis/libraries.bse/x2c-tzvppall-2c-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPPall-2c version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-tzvppall-autoaux b/src/basis/libraries.bse/x2c-tzvppall-autoaux index 719d6144a4..547093ded3 100644 --- a/src/basis/libraries.bse/x2c-tzvppall-autoaux +++ b/src/basis/libraries.bse/x2c-tzvppall-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPPall version number 0 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F. diff --git a/src/basis/libraries.bse/x2c-tzvppall-s b/src/basis/libraries.bse/x2c-tzvppall-s index ab85132e2a..245d2d36a5 100644 --- a/src/basis/libraries.bse/x2c-tzvppall-s +++ b/src/basis/libraries.bse/x2c-tzvppall-s @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPPall-s version number 1 # Description: All-electron relativistic triple-zeta for NMR shielding # Role: orbital diff --git a/src/basis/libraries.bse/x2c-tzvppall-s-autoaux b/src/basis/libraries.bse/x2c-tzvppall-s-autoaux index 7ecd3ac282..4f61b266ab 100644 --- a/src/basis/libraries.bse/x2c-tzvppall-s-autoaux +++ b/src/basis/libraries.bse/x2c-tzvppall-s-autoaux @@ -1,5 +1,5 @@ -# BSE Version v0.9 -# Data downloaded on 2022-02-15T18:31 +# BSE Version 0.11.dev17+g4fabcd53 +# Data downloaded on 2024-11-21T16:45 # x2c-TZVPPall-s version number 1 AutoAux # Role: JK Fitting # Stoychev GL, Auer AA, Neese F.