AlexandriaChemistry / AlexandriaChemistry/ACT

Make PG a separate charge type

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#870 7 comments 0 reactions 0 assignees View on GitHub
enhancement
Dominant language
C++
Stars
18
Forks
3
Avg merge
42m
Merged PRs (30d)
12

Description

Rather than having a particle and a virtual site on top of it, with this charge type each particle could have two charges instead of one, and one zeta. We would not need so many particles, and the code can in principle be made more efficient as well by computing one complex interaction instead of four simpler interactions.

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