Skip to content

Add ase_filter keyword to StructOptimizer.relax()#102

Merged
janosh merged 3 commits intomainfrom
ase-filter-kwarg
Dec 7, 2023
Merged

Add ase_filter keyword to StructOptimizer.relax()#102
janosh merged 3 commits intomainfrom
ase-filter-kwarg

Conversation

@janosh
Copy link
Copy Markdown
Collaborator

@janosh janosh commented Dec 7, 2023

Follow up to #101 to make ase.filters.Filter used by StructOptimizer customizable.

@janosh janosh added enhancement New feature or request ase Atomic simulation environment relax Structure optimization labels Dec 7, 2023
@janosh janosh enabled auto-merge (squash) December 7, 2023 22:10
@janosh janosh merged commit 1ead8bd into main Dec 7, 2023
@janosh janosh deleted the ase-filter-kwarg branch December 7, 2023 22:19
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

ase Atomic simulation environment enhancement New feature or request relax Structure optimization

Projects

None yet

Development

Successfully merging this pull request may close these issues.

1 participant