Remove temporary output file in DeePKS. - #7276
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Pull request overview
Removes a temporary DeePKS debug output (gev.npy) from the LCAO DeePKS gradient/energy evaluation path.
Changes:
- Deleted the
gev.npytensor dump (and its associated derivative calculation) fromDeePKS_domain::cal_edelta_gedm.
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mohanchen
added
Refactor
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What's changed?
gev.npytemporarily introduced for testing case.