Collaboration diagram for Sample:

Public Member Functions
size_t	size () const

void	read_atoms (const std::string &filename)
	read atoms from position file

void	print_atoms (const std::string &filename, const std::vector< std::string > &materials=std::vector< std::string >()) const
	print position file

void	print_atoms (const std::string &filename, const std::string &material) const

void	read (const std::string &filename, const std::string &neighborfile="", const std::string &resources_dir="")

void	setup (Parameter_Map &param_map)

	Sample (const std::string &positionfile, const std::string &neighborfile="", const std::string &resources_dir="")

	Sample (Parameter_Map &param_map)

Public Attributes
Atom_List	atlist
	List of atoms:

Neighbor_List	nn_list
	List of neighbors:

Neighbor_List	nn_list_unrelaxed
	List of neighbors with distances corresponding to an equlibrium lattice.

TB_Parameter_List	parlist
	tight-binding Parameter list, used to obtain equilibrium lattice vectors

The documentation for this class was generated from the following files:

Public Member Functions

Public Attributes