Fix: bug in mulliken output #4463
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We need a test to protect this feature. @hongriTianqi |
mohanchen
added
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Bug Report (Exclude input and output)
Thanks for reminding. A unit test has been added in unitcell_test_para.cpp to ensure all processors have the atom_label info, which is needed in initializing the CellIndex class. |
mohanchen
approved these changes
Jun 24, 2024
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Reminder
Linked Issue
Fix #4430