CASM  1.1.0
A Clusters Approach to Statistical Mechanics
SupercellSymInfo.cc File Reference

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Namespaces

 CASM
 Main CASM namespace.
 

Functions

std::vector< Permutation > CASM::make_translation_permutations (const Eigen::Matrix3l &transformation_matrix, int basis_sites_in_prim)
 
SymGroupRepID CASM::make_permutation_representation (const SymGroup &group, const xtal::UnitCellCoordIndexConverter &bijk_index_converter, const Lattice &prim_lattice, const SymGroupRepID &prim_symrep_ID)
 
std::string CASM::hermite_normal_form_name (const Eigen::Matrix3l &matrix)
 
Eigen::Matrix3l CASM::make_hermite_normal_form (std::string hermite_normal_form_name)
 
std::string CASM::make_supercell_name (SymGroup const &point_group, Lattice const &prim_lattice, Lattice const &supercell_lattice)
 Make the supercell name. More...
 
std::string CASM::make_canonical_supercell_name (SymGroup const &point_group, Lattice const &prim_lattice, Lattice const &supercell_lattice)
 Make the canonical supercell name. More...
 
xtal::Superlattice CASM::make_superlattice_from_supercell_name (SymGroup const &factor_group, Lattice const &prim_lattice, std::string supercell_name)
 Construct a Superlattice from the supercell name. More...
 
std::pair< MasterSymGroup, SymGroupRepID > CASM::make_collective_dof_symrep (std::set< Index > const &site_indices, SupercellSymInfo const &_syminfo, DoFKey const &_key, std::vector< PermuteIterator > const &_group)
 Make the matrix representation for group '_group' describing the transformation of DoF '_key' among a subset of sites. More...