Structure.hh File Reference

#include <cmath>
#include <cstdlib>
#include <iostream>
#include <memory>
#include <unordered_map>
#include <vector>
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/Molecule.hh"
#include "casm/crystallography/Site.hh"
#include "casm/symmetry/SymGroup.hh"

Go to the source code of this file.

Classes
class	CASM::Structure
	Structure specifies the lattice and atomic basis of a crystal. More...

Namespaces
	CASM
	Main CASM namespace.

Functions
std::vector< std::vector< Index > >	CASM::make_index_converter (const Structure &struc, std::vector< xtal::Molecule > mol_list)
std::vector< std::vector< Index > >	CASM::make_index_converter (const Structure &struc, std::vector< std::string > mol_name_list)
std::vector< std::vector< Index > >	CASM::make_index_converter_inverse (const Structure &struc, std::vector< std::string > mol_name_list)
std::map< DoFKey, CASM::DoFSetInfo >	CASM::global_dof_info (Structure const &_struc)
std::map< DoFKey, std::vector< CASM::DoFSetInfo > >	CASM::local_dof_info (Structure const &_struc)
SupercellSymInfo	CASM::make_supercell_sym_info (Structure const &prim, Lattice const &super_lattice)