Skip to content

re-enable gaussian MM charges#6

Merged
fishjojo merged 7 commits intofishjojo:masterfrom
MoleOrbitalHybridAnalyst:master
Sep 27, 2025
Merged

re-enable gaussian MM charges#6
fishjojo merged 7 commits intofishjojo:masterfrom
MoleOrbitalHybridAnalyst:master

Conversation

@MoleOrbitalHybridAnalyst
Copy link

@MoleOrbitalHybridAnalyst MoleOrbitalHybridAnalyst commented Sep 25, 2025

(1) Re-enable Gaussian MM charges for molecules by implementing the nuclear energy and gradient
(2) Add periodic QM/MM using multipoles (https://arxiv.org/abs/2408.03273)

@fishjojo fishjojo merged commit 50405cb into fishjojo:master Sep 27, 2025
7 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants