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njzjz / Pyforce

A custom package for LAMMPS, adding a fix command for calculating forces with Python.
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change to pair style #7

Closed njzjz closed 4 years ago

njzjz commented 5 years ago

refer https://github.com/njzjz/deepmd-kit/blob/esoinn/source/lmp/pair_nnp_esoinn.cpp

ghost commented 5 years ago

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