Functions
bool	calc_cost_matrix (const Supercell &scel, const BasicStructure< Site > &rstruc, const Coordinate &trans, const Eigen::Matrix3d &metric, Eigen::MatrixXd &cost_matrix)

bool	calc_cost_matrix (const Configuration &config, const BasicStructure< Site > &rstruc, const Coordinate &trans, const Eigen::Matrix3d &metric, Eigen::MatrixXd &cost_matrix)

bool	struc_to_configdof (const Supercell &scel, BasicStructure< Site > rstruc, ConfigDoF &config_dof, std::vector< Index > &best_assignment, const bool translate_flag, const double _tol)

bool	preconditioned_struc_to_configdof (const Supercell &scel, const BasicStructure< Site > &rstruc, const Eigen::Matrix3d &deformation, ConfigDoF &config_dof, std::vector< Index > &best_assignment, const bool translate_flag, const double _tol)
	Same as struc_to_configdof, except 'rstruc' is de-rotated and de-strained. Any deformation is instead specified by 'deformation'. More...

bool	struc_to_configdof (const Configuration &config, BasicStructure< Site > rstruc, ConfigDoF &config_dof, std::vector< Index > &best_assignment, const bool translate_flag, const double _tol)

bool	preconditioned_struc_to_configdof (const Configuration &config, const BasicStructure< Site > &rstruc, const Eigen::Matrix3d &deformation, ConfigDoF &config_dof, std::vector< Index > &best_assignment, const bool translate_flag, const double _tol)
	Same as struc_to_configdof, except 'rstruc' is de-rotated and de-strained. Any deformation is instead specified by 'deformation'. More...

Function Documentation

bool CASM::ConfigMap_impl::calc_cost_matrix	(	const Supercell &	scel,
		const BasicStructure< Site > &	rstruc,
		const Coordinate &	trans,
		const Eigen::Matrix3d &	metric,
		Eigen::MatrixXd &	cost_matrix
	)

Definition at line 782 of file ConfigMapping.cc.

bool CASM::ConfigMap_impl::calc_cost_matrix	(	const Configuration &	config,
		const BasicStructure< Site > &	rstruc,
		const Coordinate &	trans,
		const Eigen::Matrix3d &	metric,
		Eigen::MatrixXd &	cost_matrix
	)

Definition at line 848 of file ConfigMapping.cc.

bool CASM::ConfigMap_impl::preconditioned_struc_to_configdof	(	const Supercell &	scel,
		const BasicStructure< Site > &	rstruc,
		const Eigen::Matrix3d &	deformation,
		ConfigDoF &	config_dof,
		std::vector< Index > &	best_assignment,
		const bool	translate_flag,
		const double	_tol
	)

Same as struc_to_configdof, except 'rstruc' is de-rotated and de-strained. Any deformation is instead specified by 'deformation'.

Indicates that structure is incompatible with supercell, so return false

Definition at line 959 of file ConfigMapping.cc.

bool CASM::ConfigMap_impl::preconditioned_struc_to_configdof	(	const Configuration &	config,
		const BasicStructure< Site > &	rstruc,
		const Eigen::Matrix3d &	deformation,
		ConfigDoF &	config_dof,
		std::vector< Index > &	best_assignment,
		const bool	translate_flag,
		const double	_tol
	)

Same as struc_to_configdof, except 'rstruc' is de-rotated and de-strained. Any deformation is instead specified by 'deformation'.

Definition at line 1139 of file ConfigMapping.cc.

bool CASM::ConfigMap_impl::struc_to_configdof	(	const Supercell &	scel,
		BasicStructure< Site >	rstruc,
		ConfigDoF &	config_dof,
		std::vector< Index > &	best_assignment,
		const bool	translate_flag,
		const double	_tol
	)

Definition at line 920 of file ConfigMapping.cc.

bool CASM::ConfigMap_impl::struc_to_configdof	(	const Configuration &	config,
		BasicStructure< Site >	rstruc,
		ConfigDoF &	config_dof,
		std::vector< Index > &	best_assignment,
		const bool	translate_flag,
		const double	_tol
	)

Definition at line 939 of file ConfigMapping.cc.

Functions