fix nonbonded force subtraction from reference derivative

choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

https://docs.espaloma.org/en/latest/

MIT License

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Closed kntkb closed 1 year ago

kntkb commented 1 year ago

Related to issue #139.