DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
GNU Lesser General Public License v3.0
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add minus sign to all "charge penetration" terms #79
Reference: Van Vleet, Mary J., Alston J. Misquitta, Anthony J. Stone, and J. R. Schmidt. 2016. “Beyond Born–Mayer: Improved Models for Short-Range Repulsion in Ab Initio Force Fields.” Journal of Chemical Theory and Computation 12 (8): 3851–70. https://doi.org/10.1021/acs.jctc.6b00209.
Reference: Van Vleet, Mary J., Alston J. Misquitta, Anthony J. Stone, and J. R. Schmidt. 2016. “Beyond Born–Mayer: Improved Models for Short-Range Repulsion in Ab Initio Force Fields.” Journal of Chemical Theory and Computation 12 (8): 3851–70. https://doi.org/10.1021/acs.jctc.6b00209.
From master base.