Skip to content

Added calculation of positions of atoms in ClusterSpace.

Celine Durniak requested to merge 361-coordinates-atoms-in-cluster into master

Description

  • Added access to positions of atoms in cluster_space.py: following Mattias' implementation in tools/geometry.py (related task mentioned at the end of this description) and the use case provided in the description of the task.

Summary of changes

  • Added method in cluster_space.py
  • Added related unit tests

Additional information

(#359)

Closes #361 (closed)

Merge request reports