From 2b9247e101fb821cde7b116cda74d7cdc3423f7c Mon Sep 17 00:00:00 2001 From: Maciej Bartkowiak Date: Thu, 28 Mar 2024 14:15:11 +0000 Subject: [PATCH] Update analysis job list --- MDANSE/README.md | 5 ++--- .../MDANSE/Framework/Jobs/GeneralAutoCorrelationFunction.py | 2 ++ 2 files changed, 4 insertions(+), 3 deletions(-) diff --git a/MDANSE/README.md b/MDANSE/README.md index 180548384..da52ac61f 100644 --- a/MDANSE/README.md +++ b/MDANSE/README.md @@ -77,6 +77,8 @@ into an .MDT file (HDF format), which is then used for all calculations. The fol - CASTEP - CHARMM +- CP2K +- DCD - DFTB - Discover - DL_POLY @@ -85,7 +87,6 @@ into an .MDT file (HDF format), which is then used for all calculations. The fol - Gromacs - LAMMPS - NAMD -- PDB - VASP - XPLOR - ASE @@ -103,7 +104,6 @@ experimental data, or used as a prediction of results of a potential experiment.
Scattering