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Replace ase ExpCellFilter with FrechetCellFilter in StructOptimizer #101

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merged 7 commits into from
Dec 7, 2023

fix expected bulk modulus in test_md_npt_nose_hoover

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Merged

Replace ase ExpCellFilter with FrechetCellFilter in StructOptimizer #101

fix expected bulk modulus in test_md_npt_nose_hoover
20ec8c9
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Codacy Production / Codacy Static Code Analysis succeeded Dec 7, 2023 in 0s

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