CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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#include "casm/clex/io/json/ChemicalReference_json_io.hh"
#include "casm/casm_io/container/json_io.hh"
#include "casm/clex/ChemicalReference.hh"
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/Molecule.hh"
Go to the source code of this file.
Namespaces | |
CASM | |
Main CASM namespace. | |
Functions | |
template<> | |
ChemicalReferenceState | CASM::from_json (const jsonParser &json) |
Read ChemicalReferenceState from: '{"A" : X, "B" : X, ..., "energy_per_species" : X }'. More... | |
jsonParser & | CASM::to_json (const ChemicalReferenceState &ref_state, jsonParser &json) |
Write ChemicalReferenceState to: '{"A" : X, "B" : X, ..., "energy_per_species" : X }'. More... | |
void | CASM::from_json (ChemicalReferenceState &ref_state, const jsonParser &json) |
Read ChemicalReferenceState from: '{"A" : X, "B" : X, ..., "energy_per_species" : X }'. More... | |
jsonParser & | CASM::to_json (const HyperPlaneReference &ref, jsonParser &json) |
void | CASM::from_json (HyperPlaneReference &ref, const jsonParser &json, HyperPlaneReference::InputFunction f) |
jsonParser & | CASM::to_json (const ChemicalReference &ref, jsonParser &json) |
Write chemical reference. More... | |
std::pair< Eigen::VectorXd, std::vector< ChemicalReferenceState > > | CASM::one_chemical_reference_from_json (xtal::BasicStructure const &prim, jsonParser const &json) |
Read chemical reference from one of 3 alternative forms. More... | |
void | CASM::from_json (ChemicalReference &ref, jsonParser const &json, xtal::BasicStructure const &prim, double tol=1e-14) |
Read chemical reference from JSON. More... | |