Bug: `out_chg -1` is not supported since PR#5526 - 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

174 stars 136 forks source link

Bug: `out_chg -1` is not supported since PR#5526 #5541

Closed kirk0830 closed 5 days ago

kirk0830 commented 5 days ago

Describe the bug

it is my mistake that directly calling the function assume_as_boolean but forget the case that out_chg may be -1 to disable the output of rhog.

Expected behavior

No response

To Reproduce

No response

Environment

No response

Additional Context

No response

Task list for Issue attackers (only for developers)

[ ] Verify the issue is not a duplicate.
[ ] Describe the bug.
[ ] Steps to reproduce.
[ ] Expected behavior.
[ ] Error message.
[ ] Environment details.
[ ] Additional context.
[ ] Assign a priority level (low, medium, high, urgent).
[ ] Assign the issue to a team member.
[ ] Label the issue with relevant tags.
[ ] Identify possible related issues.
[ ] Create a unit test or automated test to reproduce the bug (if applicable).
[ ] Fix the bug.
[ ] Test the fix.
[ ] Update documentation (if necessary).
[ ] Close the issue and inform the reporter (if applicable).