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

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Classes

class  CASM::SupercellSymInfo
 A class that collects all symmetry information for for performing symmetry transformations on the site indices, site DoFs, and global DoFs of a Supercell or Configuration. More...
 

Namespaces

 CASM
 Main CASM namespace.
 
 CASM::SymRepTools
 
 CASM::xtal
 

Functions

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...