Implementation of ACE descriptors #529
Draft
Conversation
This file contains 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
…nto ace_descriptors
Incorrect function to calculate descriptor length.
Co-authored-by: James Goff <goffjimmy1@gmail.com>
Co-authored-by: James Goff <goffjimmy1@gmail.com>
Co-authored-by: James Goff <goffjimmy1@gmail.com>
Co-authored-by: James Goff <goffjimmy1@gmail.com>
Co-authored-by: James Goff <goffjimmy1@gmail.com>
Co-authored-by: James Goff <goffjimmy1@gmail.com>
Co-authored-by: James Goff <goffjimmy1@gmail.com>
timcallow
force-pushed
the
ace_descriptors
branch
from
6edec0a
to
8f71b1b
Compare
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Outdated suggestions cannot be applied.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.
The goal of this PR is to have ACE descriptors implemented within MALA in the same way as the current bispectrum descriptors.