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Define util functions is_ase_optimizer and get_ase_optimizer #16

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merged 3 commits into from
Dec 12, 2023

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@janosh janosh commented Dec 12, 2023

4d01ae1 define util functions is_ase_optimizer and get_ase_optimizer
ec898b8 refactor NEBCalc and RelaxCalc to use get_ase_optimizer
5753d2b add test_get_ase_optimizer

@janosh janosh added neb Nudged elastic band refactor Refactor relax RelaxCalc related labels Dec 12, 2023
@janosh janosh merged commit 70ad3b3 into main Dec 12, 2023
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@janosh janosh deleted the util-get_ase_optimizer branch December 12, 2023 18:20
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