Skip to content

ET Pair Potential Model #316

Merged
cortner merged 12 commits intoco/etbackfrom
co/etpair
Dec 29, 2025
Merged

ET Pair Potential Model #316
cortner merged 12 commits intoco/etbackfrom
co/etpair

Conversation

@cortner
Copy link
Member

@cortner cortner commented Dec 27, 2025

Implements a pair potential model, compatible with ET and GPU evaluation, and the requirements for ACE models.

@cortner cortner changed the base branch from main to co/etback December 27, 2025 21:42
@cortner cortner changed the title WIP : ET Pair Potential Model ET Pair Potential Model Dec 29, 2025
@cortner
Copy link
Member Author

cortner commented Dec 29, 2025

This was a much bigger pain than expected. Dealing with two separate transformations x -> y -> polys and x -> r -> env was more complex than I thought and should maybe be avoided in the future. I added a note to #314

@cortner cortner merged commit eb435dd into co/etback Dec 29, 2025
2 of 3 checks passed
@cortner cortner deleted the co/etpair branch December 29, 2025 22:47
@cortner cortner mentioned this pull request Jan 5, 2026
11 tasks
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.

1 participant