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Fix broken data structure related to phonon_supercell_matrix etc #231

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merged 1 commit into from
Jun 6, 2024

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@atztogo atztogo commented Jun 6, 2024

When different supercell size for fc2 is used, ph3.phonon_supercell_matrix is None. This is implicitly used as the flag to invoke this mode, i.e., different supercell sizes for fc3 and fc2.

This rule was not followed in a few places, not only in CUI logic for reading various types of inputs, but also in Yaml dumper and loader.

Probably a specific flag in boolean type should be prepared.

@atztogo atztogo merged commit f504ede into develop Jun 6, 2024
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@atztogo atztogo deleted the fix-ph3py-yaml branch June 6, 2024 23:12
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