• 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)

Fix #...

• A unit test is added for each new feature or bug fix.

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

• Example: I have added a new virtual function in the esolver base class in order to ...