Feature: output the matrix representation of symmetry operation of molecule point group #6385
Description
Background
this feature is requested by other developers.
Describe the solution you'd like
ther is already a disabled keyword test_symmetry and its corresponding functionality. if this keyword is assigned, then the symm_ops will be printed in running log. I will rename it to cal_symm_matrepr, then if given as 1, in running log file the symmetry operations' matrix representations will be printed. Additionally I will also support a second parameter to control its precision. It's default value would be 3, in alignment with other out_ flags.
cc @dyzheng
Task list only for developers
- Notice possible changes of behavior
- Explain the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi
Notice Possible Changes of Behavior (Reminder only for developers)
No response
Notice any changes of core modules (Reminder only for developers)
No response
Notice Possible Changes of Core Modules (Reminder only for developers)
No response
Additional Context
No response
Task list for Issue attackers (only for developers)
- Review and understand the proposed feature and its importance.
- Research on the existing solutions and relevant research articles/resources.
- Discuss with the team to evaluate the feasibility of implementing the feature.
- Create a design document outlining the proposed solution and implementation details.
- Get feedback from the team on the design document.
- Develop the feature following the agreed design.
- Write unit tests and integration tests for the feature.
- Update the documentation to include the new feature.
- Perform code review and address any issues.
- Merge the feature into the main branch.
- Monitor for any issues or bugs reported by users after the feature is released.
- Address any issues or bugs reported by users and continuously improve the feature.