1 #ifndef CASM_clex_io_json_ChemicalReference
2 #define CASM_clex_io_json_ChemicalReference
24 jsonParser &
to_json(
const ChemicalReferenceState &ref_state, jsonParser &json);
55 std::pair<Eigen::VectorXd, std::vector<ChemicalReferenceState> >
std::function< Eigen::VectorXd(const Configuration &)> InputFunction
Maps a Configuration to a scalar value via a hyperplane.
BasicStructure specifies the lattice and atomic basis of a crystal.
jsonParser & to_json(const ClexDescription &desc, jsonParser &json)
std::pair< Eigen::VectorXd, std::vector< ChemicalReferenceState > > one_chemical_reference_from_json(xtal::BasicStructure const &prim, jsonParser const &json)
Read chemical reference from one of 3 alternative forms.
void from_json(ClexDescription &desc, const jsonParser &json)
ChemicalReferenceState from_json< ChemicalReferenceState >(const jsonParser &json)
Read ChemicalReferenceState from: '{"A" : X, "B" : X, ..., "energy_per_species" : X }'.
Stores the composition and energy in a single reference state.
Helper struct for constructing objects that need additional data.
static ReturnType from_json(const jsonParser &json)
Default from_json is equivalent to.