MonteIO.cc File Reference

#include "casm/monte_carlo/MonteIO.hh"
#include <boost/filesystem.hpp>
#include <boost/filesystem/fstream.hpp>
#include "casm/casm_io/dataformatter/DataFormatter_impl.hh"
#include "casm/clex/ConfigDoF.hh"
#include "casm/clex/SimpleStructureTools.hh"
#include "casm/clex/io/json/ConfigDoF_json_io.hh"
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/BasicStructureTools.hh"
#include "casm/crystallography/SimpleStructure.hh"
#include "casm/crystallography/SimpleStructureTools.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/crystallography/io/VaspIO.hh"
#include "casm/external/gzstream/gzstream.h"
#include "casm/monte_carlo/MonteCarlo.hh"
#include "casm/monte_carlo/MonteSettings.hh"

Go to the source code of this file.

Namespaces
	CASM
	Main CASM namespace.
	CASM::Monte

Functions
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloMeanFormatter (std::string prop_name)
	Print mean property values: <prop_name> More...
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloPrecFormatter (std::string prop_name)
	Print calculated precision of property values: prec(<prop_name>) More...
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloCovFormatter (std::string prop_name1, std::string prop_name2)
	Print covariance: cov(prop_name1, prop_name2) More...
GenericDatumFormatter< bool, ConstMonteCarloPtr >	CASM::Monte::MonteCarloIsEquilibratedFormatter ()
	Print if equilibrated (not counting explicitly requested equilibration) More...
GenericDatumFormatter< bool, ConstMonteCarloPtr >	CASM::Monte::MonteCarloIsConvergedFormatter ()
	Print if converged. More...
GenericDatumFormatter< size_type, ConstMonteCarloPtr >	CASM::Monte::MonteCarloNEquilSamplesFormatter ()
	Print number of samples used for equilibration (not counting explicitly requested equilibration) More...
GenericDatumFormatter< size_type, ConstMonteCarloPtr >	CASM::Monte::MonteCarloNAvgSamplesFormatter ()
	Print number of samples used in calculating means. More...
GenericDatumFormatter< size_type, std::pair< ConstMonteCarloPtr, size_type > >	CASM::Monte::MonteCarloPassFormatter ()
	Print Pass number of observation. More...
GenericDatumFormatter< size_type, std::pair< ConstMonteCarloPtr, size_type > >	CASM::Monte::MonteCarloStepFormatter ()
	Print Step number of observation. More...
GenericDatumFormatter< double, std::pair< ConstMonteCarloPtr, size_type > >	CASM::Monte::MonteCarloObservationFormatter (std::string prop_name)
	Print value of observation. More...
GenericDatumFormatter< int, std::pair< ConstMonteCarloPtr, size_type > >	CASM::Monte::MonteCarloOccFormatter (size_type occ_index)
	Print value of a particular occupation variable. More...
DataFormatter< std::pair< ConstMonteCarloPtr, size_type > >	CASM::Monte::make_observation_formatter (const MonteCarlo &mc)
	Make a observation formatter. More...
DataFormatter< std::pair< ConstMonteCarloPtr, size_type > >	CASM::Monte::make_trajectory_formatter (const MonteCarlo &mc)
	Make a trajectory formatter. More...
void	CASM::Monte::write_observations (const MonteSettings &settings, const MonteCarlo &mc, size_type cond_index, Log &_log)
	Will create (and possibly overwrite) new file with all observations from run with conditions.cond_index. More...
void	CASM::Monte::write_trajectory (const MonteSettings &settings, const MonteCarlo &mc, size_type cond_index, Log &_log)
	Will create (and possibly overwrite) new file with all observations from run with conditions.cond_index. More...
void	CASM::Monte::write_POSCAR_initial (const MonteCarlo &mc, size_type cond_index, Log &_log)
	For the initial state, write a POSCAR file. More...
void	CASM::Monte::write_POSCAR_final (const MonteCarlo &mc, size_type cond_index, Log &_log)
	For the final state, write a POSCAR file. More...
void	CASM::Monte::write_POSCAR_trajectory (const MonteCarlo &mc, size_type cond_index, Log &_log)
	For every snapshot taken, write a POSCAR file. More...