Merge branch 'develop' into cam_WP7_task3

This commit is contained in:
Mikolaj Adam Kowalski 2020-02-26 11:23:48 +00:00
commit c679f8e8e1
33 changed files with 1746 additions and 903 deletions

View file

@ -784,8 +784,9 @@ class IncidentPhoton(EqualityMixin):
sub_group = shell_group.create_group(key)
# Write atomic relaxation
if key in self.atomic_relaxation.subshells:
self.atomic_relaxation.to_hdf5(sub_group, key)
if self.atomic_relaxation is not None:
if key in self.atomic_relaxation.subshells:
self.atomic_relaxation.to_hdf5(sub_group, key)
else:
continue