Axel Kohlmeyer 458253b452 add python interface with optional numpy support for lammps_gather_bonds() ...

unit tests are included

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

..

CMakeLists.txt

add python interface with optional numpy support for lammps_gather_bonds()

2021-07-26 22:40:21 -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

Merge branch 'master' into package-reorganization-step1

2021-07-02 13:24:49 -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()

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python-open.py

Python: add context manager implementation

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

python-pylammps.py

Add test for thermo data

2020-09-16 15:14:05 -04:00

python-scatter-gather.py

add python interface with optional numpy support for lammps_gather_bonds()

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run.py

Add tests to cover python command

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

test_python_package.cpp

update URLs in some more files

2021-05-24 16:19:37 -04:00