From d76170231b9ab2958a335ac7b662920f66e559a3 Mon Sep 17 00:00:00 2001 From: hebrewsnabla Date: Wed, 16 Nov 2022 19:30:42 +0800 Subject: [PATCH] update CHANGELOG --- CHANGELOG | 20 +++++++++++++++++++- 1 file changed, 19 insertions(+), 1 deletion(-) diff --git a/CHANGELOG b/CHANGELOG index ee51936..ce57cc9 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -1,5 +1,19 @@ -version 0.3.0 (Jun 13, 2022) +version 0.3.0-rc1 (Nov 16, 2022) +-------------------------- +Features +* allow mixing HOMO-n and LUMO+m, and mixing multiple pairs of orbitals +* add unothresh in autocas +* add rmdegen in from_frag +* allow GHF in check_stab +Improvements +* improve api of mix, from_frag, etc. +Fix +* fix bug in act_user +* resolve bse dependency + +version 0.3.0a (Jun 22, 2022) +-------------------------- * GVB interface to pyNOF * new strategies: + UNO -> PM LMO -> assoc. rot. -> GVB -> CASSCF @@ -10,13 +24,16 @@ version 0.3.0 (Jun 13, 2022) * add chemcore * add flipspin guess * improve efficiency of cidump +* upload to pypi version 0.2.2 (Feb 24, 2022) +-------------------------- * allow symmetry in autocas * allow reading natural orbital with from_fch_noiter * allow user-defined thresh in get_uno version 0.2.1 (Jan 26, 2022) +-------------------------- * allow SOSCF in check_stab * support for RHF/RKS, ROHF/ROKS in check_stab * support for UKS in from_fch_simp @@ -24,6 +41,7 @@ version 0.2.1 (Jan 26, 2022) * fix bug in cidump version 0.2.0 (Aug 29, 2021) +-------------------------- * move everything to pyAutoMR.automr * UHF -> SUHF -> CASSCF * from_frag_tight for trying multiple frag guesses