Skip to content

Improve speed of AtomMask::AddUnit()#1147

Merged
drroe merged 2 commits intoAmber-MD:masterfrom
drroe:improve.ws.setup
Sep 4, 2025
Merged

Improve speed of AtomMask::AddUnit()#1147
drroe merged 2 commits intoAmber-MD:masterfrom
drroe:improve.ws.setup

Conversation

@drroe
Copy link
Contributor

@drroe drroe commented Sep 4, 2025

6.29.16.

This improvement will in turn improve the setup speed of actions like watershell, closest, autoimage. Probably only noticeable at larger system sisze.

…ts are already sorted and have no duplicates
…l improve setup times for e.g. watershell, closest, etc
@drroe drroe self-assigned this Sep 4, 2025
@drroe drroe merged commit 8310e38 into Amber-MD:master Sep 4, 2025
13 checks passed
@drroe drroe deleted the improve.ws.setup branch September 4, 2025 18:13
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant