Improve the wrapper of `ANISymmetryFunctions` - Githubissues

openmm / NNPOps

High-performance operations for neural network potentials

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Improve the wrapper of `ANISymmetryFunctions` #47

Closed raimis closed 2 years ago

raimis commented 2 years ago

[x] Improve the wrapper of ANISymmetryFunctions based on #40

Related with https://github.com/openmm/NNPOps/issues/44