issues
search
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
174
stars
136
forks
source link
Fix: recover the use of -1 value of out_chg
#5540
Closed
kirk0830
closed
2 days ago
kirk0830
commented
2 days 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 #5541
Unit Tests and/or Case Tests for my changes
A unit test is added for each new feature or bug fix.
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...
Any changes of core modules? (ignore if not applicable)
Example: I have added a new virtual function in the esolver base class in order to ...
Reminder
Linked Issue
Fix #5541
Unit Tests and/or Case Tests for my changes
What's changed?
Any changes of core modules? (ignore if not applicable)