Skip to content

4th order correction D4V breaks symmetry  #53

Description

@ionerrea

We found a system in which the 4th order correction breaks the symmetry, while the old fortran code does not. There must be a small bug somewhere in the Python version. The funny thing is that the 3rd order does not break it, so it seems to be something that only happens in the 4th order correction in the Python version.

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

    bugSomething isn't working

    Type

    No type

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions