An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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Test: correct the INPUT of examples/scf/lcao_Cu and the reference of examples/bsse/water #5536
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pxlxingliang closed 1 day ago
Reminder
Linked Issue
Fix #5535
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)