pele.mindist._wrapper_atomiccluster#
- class pele.mindist._wrapper_atomiccluster.MinPermDistAtomicCluster[source]
-
class MinPermDistAtomicCluster(MinPermDistCluster):minpermdist for atomic cluster (3 carthesian coordinates per site)
- Parameters:
- permlistoptional
list of allowed permutations. If nothing is given, all atoms will be considered as permutable. For no permutations give an empty list []
- can_invertbool, optional
also test for inversion
See also
- class pele.mindist._wrapper_atomiccluster.ExactMatchAtomicCluster[source]
-
class ExactMatchAtomicCluster(ExactMatchCluster):minpermdist for atomic cluster (3 carthesian coordinates per site)
- Parameters:
- permlistoptional
list of allowed permutations. If nothing is given, all atoms will be considered as permutable. For no permutations give an empty list []
- can_invertbool, optional
also test for inversion
See also