[pull] develop from lammps:develop#110
Merged
pull[bot] merged 3 commits intocomphy-lab:developfrom Mar 5, 2026
Merged
Conversation
When running on more than one processor and when atoms belong to different fix groups the nve/spin fix would hang and not integrate. The issue is caused only in the case that sectoring is true (e.g. MPI with more than one processor) and a sector contains some atoms with the nve/spin fix and some without. There are while loops that become infinite because `i' never gets changed because `mask[i] & groupbit' keeps evaluating as false. This is fixed by advancing `i' even if we don't need to integrate some spins.
Fix NVE Spin hang
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to subscribe to this conversation on GitHub.
Already have an account?
Sign in.
2 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
See Commits and Changes for more details.
Created by
pull[bot] (v2.0.0-alpha.4)
Can you help keep this open source service alive? 💖 Please sponsor : )