Axel Kohlmeyer ec46510d2e add local extract_compute() tests

2022-06-20 23:07:01 -04:00

..

CMakeLists.txt

Merge branch 'develop' into python_use_setuptools

2022-02-12 00:37:03 -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

update windows version history

2022-05-29 02:01:21 -04:00

python-commands.py

add local extract_compute() tests

2022-06-20 23:07:01 -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 unit test for extracting local vector and array via numpy

2022-06-20 18:48:50 -04:00

python-open.py

Python: add context manager implementation

2021-05-10 18:42:27 -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