Update to metatensor-torch v0.5.5 #1108
Merged
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Outdated suggestions cannot be applied.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.
Description
The main change is that there is now an official
"features"
output that we can use to pass CV, instead of the custom"plumed::cv"
output. The code still accepts models using the previous names, but outputs a deprecation warning.This PR also adds a link to a page in metatensor documentation that is not yet online, but will be as soon as metatensor/metatensor#726 is merged.
Type of contribution
Copyright
COPYRIGHT
file with the correct license information. Code should be released under an open source license. I also used the commandcd src && ./header.sh mymodulename
in order to make sure the headers of the module are correct.Tests