ConfigDoF.cc File Reference

#include "casm/CASM_global_definitions.hh"
#include "casm/clex/ConfigDoF.hh"
#include "casm/symmetry/PermuteIterator.hh"
#include "casm/clex/Correlation.hh"
#include "casm/clex/Clexulator.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/clex/Supercell.hh"
#include "casm/clex/NeighborList.hh"

Go to the source code of this file.

Namespaces
	CASM
	Main CASM namespace.

Functions
jsonParser &	CASM::to_json (const ConfigDoF &value, jsonParser &json)
void	CASM::from_json (ConfigDoF &value, const jsonParser &json)
ConfigDoF &	CASM::apply (const PermuteIterator &it, ConfigDoF &dof)
void	CASM::swap (ConfigDoF &A, ConfigDoF &B)
Correlation	CASM::correlations (const ConfigDoF &configdof, const Supercell &scel, Clexulator &clexulator)
	Returns correlations using 'clexulator'. Supercell needs a correctly populated neighbor list. More...
Eigen::VectorXd	CASM::correlations_vec (const ConfigDoF &configdof, const Supercell &scel, Clexulator &clexulator)
	Returns correlations using 'clexulator'. Supercell needs a correctly populated neighbor list. More...
ReturnArray< int >	CASM::get_num_each_molecule (const ConfigDoF &configdof, const Supercell &scel)
	Returns num_each_molecule[ molecule_type], where 'molecule_type' is ordered as Structure::get_struc_molecule() More...
Eigen::VectorXi	CASM::get_num_each_molecule_vec (const ConfigDoF &configdof, const Supercell &scel)
	Returns num_each_molecule(molecule_type), where 'molecule_type' is ordered as Structure::get_struc_molecule() More...
Eigen::VectorXd	CASM::comp_n (const ConfigDoF &configdof, const Supercell &scel)
	Returns comp_n, the number of each molecule per primitive cell, ordered as Structure::get_struc_molecule() More...