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

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Namespaces

 CASM
 Main CASM namespace.
 
 CASM::Local
 

Functions

static bool CASM::Local::_is_vacancy (const std::string &name)
 A vacancy is any Specie/Molecule with (name == "VA" || name == "va" || name == "Va") More...
 
void CASM::display_composition_axes (std::ostream &stream, const std::map< std::string, CompositionConverter > &map)
 Pretty-print map of name/CompositionConverter pairs. More...
 
void CASM::display_comp (std::ostream &stream, const CompositionConverter &f, int indent=0)
 Pretty-print comp in terms of comp_n. More...
 
void CASM::display_comp_n (std::ostream &stream, const CompositionConverter &f, int indent=0)
 Pretty-print comp_n in terms of comp. More...
 
void CASM::display_param_chem_pot (std::ostream &stream, const CompositionConverter &f, int indent=0)
 Pretty-print param_chem_pot in terms of chem_pot. More...
 
Eigen::MatrixXd CASM::end_members (const ParamComposition::AllowedOccupants &_allowed_occs)
 Serialize CompositionConverter to JSON. More...
 
Eigen::MatrixXd CASM::_composition_space (const ParamComposition::AllowedOccupants &_allowed_occs, double tol)
 Non-orthogonal composition space. More...
 
Eigen::MatrixXd CASM::composition_space (const ParamComposition::AllowedOccupants &_allowed_occs, double tol=1e-14)
 Return the composition space of a ParamComposition::AllowedOccupants. More...
 
Eigen::MatrixXd CASM::null_composition_space (const ParamComposition::AllowedOccupants &_allowed_occs, double tol=1e-14)
 Return the null composition space of a ParamComposition::AllowedOccupants. More...