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4 Commits

Author SHA1 Message Date
Evangelos Voyiatzis
d31595a36c fixing unit tests in python-scatter-gather.py 2023-01-27 15:27:13 +02:00
Evangelos Voyiatzis
755766220c Include tests for gather_angles, gather_dihedrals & gather_impropers in python-scatter-gather.py 2023-01-27 10:28:28 +02:00
Evangelos Voyiatzis
f7ee47f47f Auxiliary test methods for angles, dihedrals and impropers 2023-01-26 16:33:57 +02:00
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
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