Add multiple species support of LJ - Githubissues

openkim / kliff

KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

https://kliff.readthedocs.io

GNU Lesser General Public License v2.1

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Add multiple species support of LJ #112

Closed mjwen closed 1 year ago

mjwen commented 1 year ago

modify the builtin LJ model to support multi species
fix LJ tests