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Q-Chem initial_hessian handling#3346

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Commits on Feb 15, 2023

• Add svd_failed error a second place

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Commits on Feb 28, 2023

• fix staticmethod to classmethodd

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• Merge branch 'master' into qchem

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• switch back to staticmethod

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Commits on Mar 11, 2023

• Merge branch 'master' into qchem

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Commits on Mar 13, 2023

• Fix multiple_outputs and tests

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Commits on Mar 14, 2023

• Merge branch 'master' into qchem

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Commits on Mar 21, 2023

• Merge branch 'master' into qchem

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• oxygen edge extender

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• doc string and test for oxygen_edge_extender

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• try to satisfy pre-commit

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• avoid babel for oxygen_edge_extender test

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• tweak oxygen_edge_extender() for readability

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• Merge branch 'master' into qchem

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Commits on Apr 4, 2023

• initial hessian model for delocalized

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Commits on May 3, 2023

• Merge branch 'master' into qchem

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• Merge branch 'qchem' of https://github.com/samblau/pymatgen into qchem

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Commits on May 8, 2023

• avoid deleted issue

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• bug fix

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Commits on Jun 19, 2023

• Merge branch 'master' into qchem

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Commits on Sep 21, 2023

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Commits on Oct 3, 2023

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Commits on Dec 6, 2023

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Commits on Dec 11, 2023

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Commits on May 4, 2024

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