Skip to content

Bugfix: symmetry finder

Nicolas Tancogne-Dejean requested to merge fix_symmetry_finder into develop

Description

In case the code does not find the molecule spacegroup, we do not try to get the name of the spacegroup. This fixes a segmentation fault.

Closes #42 (closed) .

News snippet

In case the code does not find the molecule spacegroup, we do not try to get the name of the spacegroup.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.

Merge request reports