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phonopy / phono3py Public

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Add supercell_energies attributes in API#225

Merged

atztogo merged 5 commits intodevelopphonopy/phono3py:developfrom get-energies-apiphonopy/phono3py:get-energies-apiCopy head branch name to clipboard

Apr 30, 2024

+412-78

Conversation Commits5 (5)Checks Files changed

Commits

Commits on Apr 29, 2024

Getter and setter of supercell energies in API
atztogo
committed
Add Si vasprun.xml test data
atztogo
committed
Add Si test data
atztogo
committed

Commits on Apr 30, 2024

Add tests for supercell_energies and forces attributes of API
atztogo
committed
Minor fix
atztogo
committed

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