symmetrize.cc File Reference

#include "casm/app/sym/symmetrize.hh"
#include <boost/filesystem.hpp>
#include "casm/app/APICommand.hh"
#include "casm/app/io/json_io.hh"
#include "casm/casm_io/Log.hh"
#include "casm/casm_io/json/InputParser_impl.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/crystallography/BasicStructureTools.hh"
#include "casm/crystallography/Lattice.hh"
#include "casm/crystallography/SimpleStructureTools.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/crystallography/SymTools.hh"
#include "casm/crystallography/io/VaspIO.hh"
#include "casm/symmetry/SymGroup.hh"

Go to the source code of this file.

Namespaces
	symmetrize_impl
	CASM
	Main CASM namespace.

Functions
void	symmetrize_impl::_print_factor_group_convergence (const Structure &struc, double small_tol, double large_tol, double increment, std::ostream &print_stream)
SymGroup	symmetrize_impl::make_enforced_factor_group (xtal::BasicStructure basic_structure, double enforced_tol)
	Return SymGroup calculated for basic_structure with specified tolerance. More...
void	symmetrize_impl::symmetrize_v1 (fs::path poscar_path, double tol)
void	symmetrize_impl::symmetrize_v2 (fs::path input_poscar_location, fs::path output_poscar_location, double enforced_tol, double input_tol)
std::string	CASM::symmetrize_desc ()
	Describe the symmetrize method. More...
void	CASM::symmetrize (PrimClex &primclex, jsonParser const &json_options, jsonParser const &cli_options_as_json)
	Adjust a structure's lattice and basis to increase factor group symmetry. More...