Axel Kohlmeyer 9d9e591b54 first try at implementing lammps_extract_atom_size()

2024-08-30 22:50:42 -04:00

..

CMakeLists.txt

skip python tests using numpy that fail randomly on macOS

2023-12-22 11:35:35 -05:00

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 unit tests for extracting lattice spacings

2024-08-25 00:41:58 -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

first try at implementing lammps_extract_atom_size()

2024-08-30 22:50:42 -04:00

python-open.py

remove obsolete unittest code specific to handling the case of lammps exceptions disabled

2023-04-16 12:34:47 -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

add tests for PyLammps to check new exports

2024-06-18 21:13:33 -04:00

python-scatter-gather.py

fixing unit tests in python-scatter-gather.py

2023-01-27 15:27:13 +02:00

run.py

Add tests to cover python command

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

test_python_package.cpp

update test since we have now one invocation also during setup

2024-07-11 15:02:03 -04:00