Fix bug in vibration.py#65
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pxlxingliang
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Oct 27, 2025
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The bug when not all atoms are selected is fixed.
In previous code, the dumped
cache.xxx.jsoncontaining forces doesn't contain forces which is not selected, and will raise error in if not selected.The prepare process of input files for ABACUS calculation on displaced structures are reconstructed to be an independent function now.