Skip to content

Fix the computation of partial charges for the spinor case, to avoid a segfault.

Description

Fix the computation of partial charges for the spinor case, to avoid a segfault.

Closes #868 (closed)

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

Loading