Skip to content

Conversation

@cortner
Copy link
Member

@cortner cortner commented Dec 30, 2025

This PR is to add splinification functionality for the radial and pair basis.

It turns out the P4ML splines are just not flexible enough, but it should be straightforward to implement something suitable for ACEpotentials. Only question is whether this should live in ACEpotentials or in ET. Will sleep on it and continue tomorrow...

main splines code is now in ET, some basic functionality to construct spline radial and pair bases is now provided, should be basis and jacobian and GPU compatible if used correctly, but likely missing a few use-cases.

Overall this provides the intended functionality which we can bug-fix or expand as required as we run into problems.

@cortner cortner changed the base branch from main to co/etback December 30, 2025 05:30
@cortner cortner changed the title WIP: Splines Splines Jan 1, 2026
@cortner cortner merged commit c6325e3 into co/etback Jan 1, 2026
2 of 3 checks passed
@cortner cortner deleted the co/splines branch January 1, 2026 00:23
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants