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| static bool | _is_vacancy (const std::string &name) |
| | A vacancy is any Specie/Molecule with (name == "VA" || name == "va" || name == "Va") More...
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| static int | _permute_dist (MappingNode::MoleculeMap const &_perm, MappingNode const &_node) |
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| template<typename IterType > |
| static IterType | _strictest_equivalent (IterType begin, IterType end, MappingNode const &_node) |
| | Find symop (as PermuteIterator) that gives the most 'faithful' equivalent mapping This means that (1) the site permutation is as close to identity as possible (i.e., maximal character) (2) ties at (1) are broken by ensuring _node.isometry is proper and close to zero rotation (i.e., maximal character*determinant) (3) if (1) and (2) are ties, then we minimize _node.translation.norm() More...
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| static std::vector< Eigen::VectorXi > | _sub_extremes (std::set< Index > const &subcomponents, std::map< std::set< Index >, Index > const &sublats, Index dim) |
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| static std::map< std::set< Index >, std::map< std::set< Index >, Index > > | _chemical_subsystems (ParamComposition::AllowedOccupants const &_allowed_occs) |
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| static std::map< std::string, AnisoValTraits > & | traits_map () |
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| static void | register_traits (AnisoValTraits new_traits) |
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| static int | initialize () |
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| static AnisoValTraits const & | traits (std::string const &name) |
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| static std::string | _resolve_properties_path (std::string pos_path, PrimClex const &_pclex) |
| | Return path to properties.calc.json that will be imported checking a couple possible locations relative to pos_path. More...
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| MappedProperties | make_mapped_properties (SimpleStructure const &simple_structure, std::set< std::string > const &dof_managed_properties, double lattice_deformation_cost, double atomic_deformation_cost, double total_cost) |
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| static MappedProperties | _make_mapped_properties (MappingNode const &_node, ConfigMapperResult::Individual const &_map) |
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| static std::vector< Index > | _number_of_operation_types (SymGroup const &group) |
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| static std::map< std::string, std::string > | _centric_point_group_info (std::vector< Index > const &op_types) |
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| std::map< std::string, std::string > | _acentric_point_group_info (std::vector< Index > const &op_types) |
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| static std::map< std::string, std::string > | _nonmagnetic_point_group_info (SymGroup const &g) |
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| template<typename Derived > |
| _Real< Derived > | _real (Eigen::MatrixBase< Derived > const &mat) |
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| template<typename T > |
| _Real< std::vector< T > > | _real (std::vector< T > const &vec) |
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| static Eigen::MatrixXd | _block_shape_matrix (SymGroupRep const &_rep, SymGroup const &head_group) |
| | Matrix such that result(i,j) is sum of squares over 'p' of op_rep[p].matrix(i,j). 'p' only spans operations in head_group The resulting matrix reveals the block_diagonalization of SymGroupRep _rep for the subset of operations contained in head_group. More...
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| static Eigen::MatrixXcd | _irrep_symmetrizer_from_directions (multivector< Eigen::VectorXcd >::X< 2 > const &special_directions, Eigen::Ref< const Eigen::MatrixXcd > const &_subspace, double vec_compare_tol) |
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| static SymRepTools::IrrepWedge | _wedge_from_pseudo_irrep (SymRepTools::IrrepInfo const &irrep, SymGroupRep const &_rep, SymGroup const &head_group) |
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| bool | _rep_check (SymGroupRep const &_rep, SymGroup const &head_group, bool verbose) |
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| template<typename T > |
| SymRepTools::IrrepInfo | _subspace_to_full_space (SymRepTools::IrrepInfo const &irrep, Eigen::MatrixBase< T > const &subspace) |
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| static std::string CASM::Local::_resolve_properties_path |
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std::string |
pos_path, |
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PrimClex const & |
_pclex |
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) |
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static |
Return path to properties.calc.json that will be imported checking a couple possible locations relative to pos_path.
checks: 1) is a JSON file? is pos_path ends in ".json" or ".JSON", return pos_path 2) assume pos_path is /path/to/POS, checks for /path/to/calctype.current/properties.calc.json 3) assume pos_path is /path/to/POS, checks for /path/to/properties.calc.json else returns empty path
Definition at line 21 of file ConfigData.cc.
template<typename IterType >
| static IterType CASM::Local::_strictest_equivalent |
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IterType |
begin, |
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IterType |
end, |
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MappingNode const & |
_node |
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) |
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static |
Find symop (as PermuteIterator) that gives the most 'faithful' equivalent mapping This means that (1) the site permutation is as close to identity as possible (i.e., maximal character) (2) ties at (1) are broken by ensuring _node.isometry is proper and close to zero rotation (i.e., maximal character*determinant) (3) if (1) and (2) are ties, then we minimize _node.translation.norm()
Definition at line 53 of file ConfigMapping.cc.
1.9.1