refactor: Hexane energy and force tests#2345
Merged
trisyoungs merged 8 commits intodevelop2from Apr 7, 2026
Merged
Conversation
cb7a19c to
1c90b56
Compare
289ba8d to
0983dd6
Compare
…energy/force tests.
2cf89d3 to
b11f26d
Compare
Contributor
RobBuchananCompPhys
left a comment
There was a problem hiding this comment.
This all looks good to go 👍
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Adds in the hexane-focussed energy and force tests, bar one which tested the torsion forces alone (but which is awkward to implement without master terms which we haven't really addressed yet).