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Resolve "EXPLORE: Handling of structures that do not obey the chemical symbols in ClusterSpace"

Erik Fransson requested to merge 325-explore-handling-of-structures-that-do-not-obey-the-chemical-symbols-in-clusterspace into master

Summary of changes

  • Add sanity checker functionality (cs.assert_structure_compatability) for compatibility between supercell structure and ClusterSpace
  • Added this sanity check to StructureContainer.add_structure which can be turned off by sc.add_structure(..., sanity_check=False, but by default check is carried out.
  • Some clean up.

Closes #325 (closed) #336 (closed)

Edited by Erik Fransson

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