Skip to content

Fix Sublattice index naming in ChargedDefectStructures #1

@dbroberg

Description

@dbroberg

With version 2.0, indices included in folder naming from ChargedDefectStructures is not consistent with the sublattice site anymore.

A fix for this can make use of the PointDefectComparator in pymatgen to assign sublattice indices.

Metadata

Metadata

Assignees

No one assigned

    Labels

    enhancementNew feature or request

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions