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Add ase_filter keyword to StructOptimizer.relax() #102

Merged
merged 3 commits into from
Dec 7, 2023
Merged

Add ase_filter keyword to StructOptimizer.relax() #102

merged 3 commits into from
Dec 7, 2023

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janosh
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@janosh janosh commented Dec 7, 2023 •
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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
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@janosh janosh deleted the ase-filter-kwarg branch December 7, 2023 22:19
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ase Atomic simulation environment enhancement New feature or request relax Structure optimization
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