More optimization attempts for self coordination number#926
Open
HanatoK wants to merge 17 commits into
Open
Conversation
jhenin
reviewed
Mar 30, 2026
HanatoK
marked this pull request as ready for review
March 30, 2026 21:28
HanatoK
force-pushed
the
coordnum-template-2
branch
from
April 22, 2026 20:13
7b36ad4 to
e9b9bfa
Compare
HanatoK
force-pushed
the
coordnum-template-2
branch
from
May 13, 2026 19:49
e9b9bfa to
e35e776
Compare
Member
Author
|
Hi @jhenin and @giacomofiorin ! I cleaned up this PR a bit and removed duplicate code. I also found that the clang auto-vectorization performance gain in #913 (comment) was only achieved when |
Draft
…ordnum If colvars is built with the macro COLVARS_COORDNUM_ENABLE_MORE_STATIC_TEMPLATE, then more uncommon combinations of (n, m) are enabled.
HanatoK
force-pushed
the
coordnum-template-2
branch
from
July 16, 2026 16:04
a562bfb to
1de1a9a
Compare
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 join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
This PR is the same as the closed #913 but rebased on top of the master branch.