Axel Kohlmeyer bf8bde5b03 implement numpy wrapper for setting per-atom energy. virial not yet implemented

2021-07-22 16:59:04 -04:00

..

CMakeLists.txt

document and add unit tests for lammps_set_fix_external_callback()

2021-07-16 14:51:04 -04:00

func.py

Add tests to cover python command

2021-03-24 15:42:38 -04:00

python-capabilities.py

Merge branch 'master' into package-reorganization-step1

2021-07-02 13:24:49 -04:00

python-commands.py

confirm that no incompatible neighbor lists are found

2021-04-03 10:24:46 -04:00

python-fix-external.py

implement numpy wrapper for setting per-atom energy. virial not yet implemented

2021-07-22 16:59:04 -04:00

python-formats.py

update path to updated log file

2021-04-09 10:29:36 -04:00

python-numpy.py

confirm that no incompatible neighbor lists are found

2021-04-03 10:24:46 -04:00

python-open.py

Python: add context manager implementation

2021-05-10 18:42:27 -04:00

python-pylammps.py

Add test for thermo data

2020-09-16 15:14:05 -04:00

run.py

Add tests to cover python command

2021-03-24 15:42:38 -04:00

test_python_package.cpp

update URLs in some more files

2021-05-24 16:19:37 -04:00