Richard Berger 211df8b7b0 Avoid assertions in PythonCapabilities check when using external KOKKOS

2021-10-01 11:08:02 -04:00

..

CMakeLists.txt

must use Python3 version of imported target

2021-09-07 13:34:07 -04:00

data.fourmol

add python interface with optional numpy support for lammps_gather_bonds()

2021-07-26 22:40:21 -04:00

func.py

Add tests to cover python command

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

in.fourmol

add python interface with optional numpy support for lammps_gather_bonds()

2021-07-26 22:40:21 -04:00

python-capabilities.py

Avoid assertions in PythonCapabilities check when using external KOKKOS

2021-10-01 11:08:02 -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 setting per-atom virial from numpy array (thanks to stackoverflow)

2021-07-22 22:50:05 -04:00

python-formats.py

update path to updated log file

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

python-numpy.py

add python interface with optional numpy support for lammps_gather_bonds()

2021-07-26 22:40:21 -04:00

python-open.py

Python: add context manager implementation

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

python-pylammps.py

whitespace

2021-09-09 23:05:30 -04:00

python-scatter-gather.py

add python interface with optional numpy support for lammps_gather_bonds()

2021-07-26 22:40:21 -04:00

run.py

Add tests to cover python command

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

test_python_package.cpp

add unit test for checking the impact of lammps_python_finalize()

2021-09-06 17:42:18 -04:00