CASM  1.1.0
A Clusters Approach to Statistical Mechanics
VectorSpaceSymReport.hh
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1 #ifndef CASM_symmetry_VectorSpaceSymReport
2 #define CASM_symmetry_VectorSpaceSymReport
3 
4 #include "casm/symmetry/IrrepDecomposition.hh"
5 #include "casm/symmetry/IrrepWedge.hh"
6 
7 namespace CASM {
8 
9 namespace SymRepTools_v2 {
10 
13 struct VectorSpaceSymReport {
16  std::vector<Eigen::MatrixXd> symgroup_rep;
17 
20  std::vector<IrrepInfo> irreps;
21 
24  std::vector<SubWedge> irreducible_wedge;
25 
28  Eigen::MatrixXd symmetry_adapted_subspace;
29 
32  std::vector<std::string> axis_glossary;
33 };
34 
36 VectorSpaceSymReport vector_space_sym_report(
37  IrrepDecomposition const &irrep_decomposition, bool calc_wedges = false);
38 
39 } // namespace SymRepTools_v2
40 
42 SymRepTools_v2::VectorSpaceSymReport vector_space_sym_report_v2(
43  SymGroupRep const &rep, SymGroup const &head_group,
44  Eigen::MatrixXd const &subspace, bool calc_wedges = false);
45 
46 } // namespace CASM
47 
48 #endif
CASM::SymGroup
SymGroup is a collection of symmetry operations that satisfy the group property The symmetry operatio...
Definition: SymGroup.hh:42
CASM::SymGroupRep
SymGroupRep is an alternative representation of a SymGroup for something other than real space....
Definition: SymGroupRep.hh:31
CASM::SymRepTools_v2::vector_space_sym_report
VectorSpaceSymReport vector_space_sym_report(IrrepDecomposition const &irrep_decomposition, bool calc_wedges=false)
Construct VectorSpaceSymReport.
Definition: VectorSpaceSymReport.cc:12
CASM
Main CASM namespace.
Definition: APICommand.hh:8
CASM::MatrixXd
Eigen::MatrixXd MatrixXd
Definition: StrainConverter.hh:30
CASM::irrep_decomposition
std::vector< SymRepTools::IrrepInfo > irrep_decomposition(SymGroupRep const &_rep, SymGroup const &head_group, bool allow_complex)
Finds irreducible subspaces that comprise an underlying subspace It does not rely on the character ta...
Definition: SymRepTools.cc:761
CASM::vector_space_sym_report_v2
SymRepTools_v2::VectorSpaceSymReport vector_space_sym_report_v2(DoFSpace const &dof_space, SupercellSymInfo const &sym_info, std::vector< PermuteIterator > const &group, bool calc_wedges=false)
Make VectorSpaceSymReport.
Definition: DoFSpace.cc:585
CASM::SymRepTools_v2::IrrepDecomposition
Performs irreducible subspace construction and symmetrization.
Definition: IrrepDecomposition.hh:68
CASM::SymRepTools_v2::VectorSpaceSymReport
Summary of data associated with the action of a symmetry group on a vector space.
Definition: VectorSpaceSymReport.hh:13
CASM::SymRepTools_v2::VectorSpaceSymReport::symgroup_rep
std::vector< Eigen::MatrixXd > symgroup_rep
Matrix representation for each operation in the group – defines action of group on vector space.
Definition: VectorSpaceSymReport.hh:16
CASM::SymRepTools_v2::VectorSpaceSymReport::axis_glossary
std::vector< std::string > axis_glossary
Names given to individual axes in initial (un-adapted) vector space, corresponding to rows of symmetr...
Definition: VectorSpaceSymReport.hh:32
CASM::SymRepTools_v2::VectorSpaceSymReport::irreducible_wedge
std::vector< SubWedge > irreducible_wedge
Irreducible wedge in the vector space encoded as a vector of symmetrically distinct SubWedges.
Definition: VectorSpaceSymReport.hh:24
CASM::SymRepTools_v2::VectorSpaceSymReport::irreps
std::vector< IrrepInfo > irreps
A list of all irreducible representation that make up the full representation.
Definition: VectorSpaceSymReport.hh:20
CASM::SymRepTools_v2::VectorSpaceSymReport::symmetry_adapted_subspace
Eigen::MatrixXd symmetry_adapted_subspace
Symmetry-oriented subspace of the vector space (columns are the basis vectors)
Definition: VectorSpaceSymReport.hh:28