Multi epsilon #439
Merged
Multi epsilon #439
Conversation
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
carlocamilloni
approved these changes
May 14, 2024
carlocamilloni
added a commit
that referenced
this pull request
May 14, 2024
* Multi epsilon (#439) * multi_epsi working * updated regtests new lyso sym and multi epsi * added custom c12 dictionary for small molecules * fixed path issue * flake8 * remove old cmdata tests * flake8 * update regtest --------- Co-authored-by: brunostega <82310283+brunostega@users.noreply.github.com>
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.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.
No description provided.