SupercellClusterOrbits.hh File Reference

#include <set>
#include <vector>
#include "casm/global/definitions.hh"

Go to the source code of this file.

Classes
struct	CASM::ClusterSiteIndicesCompare
	Sort std::set<Index> by size, then value (lexicographical compare) More...

Namespaces
	CASM
	Main CASM namespace.

Functions
std::set< Index >	CASM::make_cluster_site_indices (IntegralCluster const &cluster, SupercellSymInfo const &sym_info)
	Return site indices of cluster sites. More...
IntegralCluster	CASM::make_cluster (std::set< Index > const &cluster_site_indices, Structure const &prim, SupercellSymInfo const &sym_info)
	Return cluster from cluster site indices. More...
template<typename PermuteIteratorIt >
std::vector< Permutation >	CASM::make_inverse_permutations (PermuteIteratorIt begin, PermuteIteratorIt end)
	Make inverse permutations. More...
std::set< Index >	CASM::permute_cluster_site_indices (Permutation const &inverse_permute, std::set< Index > const &cluster_site_indices)
	Rather than permute values, here we want to permute cluster site indices. More...
template<typename InversePermutationIterator >
std::set< Index >	CASM::make_canonical_cluster_site_indices (InversePermutationIterator inverse_permutations_begin, InversePermutationIterator inverse_permutations_end, std::set< Index > const &cluster_site_indices)
template<typename InversePermutationIterator , typename ElementIterator >
std::set< std::set< Index >, ClusterSiteIndicesCompare >	CASM::make_orbit_generators_under_periodic_boundary_conditions (SupercellSymInfo const &sym_info, InversePermutationIterator inverse_permutations_begin, InversePermutationIterator inverse_permutations_end, ElementIterator element_begin, ElementIterator element_end)
	Return "within_scel" orbit generators, as sets of cluster site indices. More...