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stfc / janus-core Public

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Implement geomopt Constraints#313

Open

ajjackson wants to merge 9 commits intostfc:mainstfc/janus-core:mainfrom

ajjackson:constraintsajjackson/janus-core:constraintsCopy head branch name to clipboard

Conversation Commits9 (9)Checks Files changed

Open

Implement geomopt Constraints#313
ajjackson wants to merge 9 commits intostfc:mainfrom
ajjackson:constraints

Commits

Commits on Dec 9, 2025

Allow ASE constraint to be used in geomopt
ajjackson
committed
Tidy up a bit
ajjackson
committed
Fix test failures after rebase
ajjackson
committed
Revert unintended docstring change.
ajjackson
committed
constraint_func -> constraint_class, ruff format
ajjackson
committed

Commits on Dec 10, 2025

Add unit test for geom_opt python API with ASE constraint
ajjackson
committed
Add unit test for geom_opt CLI with constraint
ajjackson
committed
Merge branch 'main' into constraints
ajjackson
authored
Remove filter_func (again) for consistency with main
ajjackson
committed

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