MonteIO.cc File Reference

#include "casm/monte_carlo/MonteIO.hh"
#include "casm/external/gzstream/gzstream.h"
#include "casm/casm_io/VaspIO.hh"
#include "casm/casm_io/DataFormatter.hh"
#include "casm/monte_carlo/MonteCarlo.hh"

Go to the source code of this file.

Namespaces
	CASM
	Main CASM namespace.

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