add minus sign to all "charge penetration" terms #79
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* Add requirement of mdtraj, optax and pymbar to the doc * Fix benzen demo (deepmodeling#75) * Add Gitee_mirror * Fix mirror CI/CD * Update ben-prm.xml Co-authored-by: Yingze Wang <[email protected]> Co-authored-by: Roy-Kid <[email protected]> Co-authored-by: KuangYu <[email protected]> Co-authored-by: Jichen Li <[email protected]> Co-authored-by: crone <[email protected]> Co-authored-by: Yuzhi Zhang <[email protected]>
KuangYu
approved these changes
Jan 5, 2023
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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.