Axel Kohlmeyer ecb28e8e2e Merge branch 'develop' into cmake-3.16

2023-08-04 04:26:30 -04:00

..

CMakeLists.txt

Merge branch 'develop' into cmake-3.16

2023-08-04 04:26:30 -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 unit tests for c-library interface and plain python module

2023-06-08 15:15:28 -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

Adding mass to python numpy unittest of KE

2023-03-28 09:17:11 -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

pylammps: only capture all thermo if PYTHON package is enabled

2023-06-09 17:40:06 -06:00

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

change "inline" keyword to "here" for consistency with the other uses

2022-11-11 22:05:35 -05:00