ConfigDoF.hh File Reference

#include "casm/container/Array.hh"
#include "casm/clex/Correlation.hh"

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Classes
class	CASM::ConfigDoF
	A container class for the different degrees of freedom a Configuration might have. More...

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...
void	CASM::reset_properties (ConfigDoF &_dof)