Skip to content

Hybrid gauge RT-TDDFT merge accidentally reverted multiple bug fixes #6436

@AsTonyshment

Description

@AsTonyshment

Describe the bug

During the merge of the hybrid gauge RT-TDDFT PR #6369, several bug fixes from other PRs were accidentally reverted. For example:

  1. @ESROAMER himself discovered that PR Fix: Fix crash in RT-TDDFT current calculation with length gauge when using > 20 MPI processes #5959's changes were reverted (now fixed in PR Fix rt-tddft crash #6410)
  2. I found that PR Fix: Fix calculation type inconsistency across MPI ranks, so that the log file names are correct when out_alllog = 1 #6356 was also reverted (this was particularly noticeable since I originally fixed that bug)

I think we should conduct a thorough investigation to ensure no other fixes were reverted, and new feature development should be regularly rebased/merged with the develop branch, as the codebase is evolving rapidly.

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions