abacus-develop icon indicating copy to clipboard operation
abacus-develop copied to clipboard
verified publisher icon deepmodeling

abacus-plot needs enhancement

Open Chentao168 opened this issue 1 year ago • 1 comments

Background

Compared to vaspkit, abacus-plot requires improvements in the following aspects

Describe the solution you'd like

  1. Improved data export for easier plotting customization.
  2. Increased readability of its user manual, for better user onboarding. Such as rewriting the PDOS plotting tutorial compared with vaspkit's example, image image

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.

Chentao168 avatar Apr 20 '24 03:04 Chentao168

@1041176461 Can you help for this Issue?

dyzheng avatar May 10 '24 08:05 dyzheng

  1. Parsed data output have already been supported, one can use command line image or Python script with write function image

  2. We currently do not support a user interface like vaspkit, so there is no way to further simplify the input settings. If a user interface is required, this functionality can be scheduled, and it will require some time.

1041176461 avatar May 12 '24 05:05 1041176461

I tested abacus-plot and it can indeed output pdos.

Chentao168 avatar May 20 '24 06:05 Chentao168