Update mult_psi_dmr.cpp - Githubissues

deepmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

http://abacus.ustc.edu.cn

GNU Lesser General Public License v3.0

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Update mult_psi_dmr.cpp #5552

Closed mohanchen closed 13 hours ago

mohanchen commented 1 day ago

Reminder

[ ] Have you linked an issue with this pull request?
[ ] Have you added adequate unit tests and/or case tests for your pull request?
[ ] Have you noticed possible changes of behavior below or in the linked issue?
[ ] Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

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What's changed?

Example: My changes might affect the performance of the application under certain conditions, and I have tested the impact on various scenarios...

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