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This PR adds a simple sanity check to make sure that frozen atoms have consistent positions across images of COS calculations.
This can catch off-by-one errors in atom indices, for example. The current behaviour is that no error will be raised and the frozen atoms will abruptly switch between positions somewhere along the string. I don't see any case where that could be preferable, so I'm suggesting this small patch.
I haven't added any test since I wasn't sure how reference structures should be handled, but here is a simple case that should trigger an exception:
cos_frozen_atoms_sanity_check_test.zip