CASM
AClustersApproachtoStatisticalMechanics
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#include "casm/clex/CompositionConverter.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/clex/ParamComposition.hh"
#include "casm/casm_io/json_io/container.hh"
#include "casm/misc/algorithm.hh"
Go to the source code of this file.
Namespaces | |
CASM | |
Main CASM namespace. | |
Functions | |
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... | |
jsonParser & | CASM::to_json (const CompositionConverter &f, jsonParser &json) |
Serialize CompositionConverter to JSON. More... | |
void | CASM::from_json (CompositionConverter &f, const jsonParser &json) |
Deserialize CompositionConverter from JSON. More... | |
Eigen::MatrixXd | CASM::end_members (const Structure &prim) |
Generate a column matrix containing all the possible molecular end members. More... | |
Eigen::MatrixXd | CASM::_composition_space (const Structure &prim, double tol) |
Non-orthogonal composition space. More... | |
Eigen::MatrixXd | CASM::composition_space (const Structure &prim, double tol=1e-14) |
Return the composition space of a Structure. More... | |
Eigen::MatrixXd | CASM::null_composition_space (const Structure &prim, double tol=1e-14) |
Return the null composition space of a Structure. More... | |