Axel Kohlmeyer ec1c6eba11 we cannot test the Pizza.py dump class without the MOLECULE package

2022-10-14 04:46:49 -04:00

..

CMakeLists.txt

try to suppress creating __pycache__ folders in the python source dirs

2022-09-24 22:27:22 -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

make lammps_config_has_package() accessible in Python module

2022-10-14 04:46:32 -04:00

python-commands.py

add neighbor list access tests. now we can always test for a full list.

2022-10-03 18:14:08 -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

Correctly handle the case that the YAML python module is not installed

2022-05-14 10:15:40 -04:00

python-numpy.py

add neighbor list access tests. now we can always test for a full list.

2022-10-03 18:14:08 -04:00

python-open.py

add c/python unit tests for lammps_error()

2022-09-23 18:59:29 -04:00

python-pizza.py

we cannot test the Pizza.py dump class without the MOLECULE package

2022-10-14 04:46:49 -04:00

python-pylammps.py

Enable PyLammps unit test, require NumPy

2022-02-03 16:24:43 -05:00

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

use clang-tidy and clang-format to update/modernize/simplify code

2022-05-31 14:46:57 -04:00