MonteIO.hh File Reference

#include <boost/filesystem/path.hpp>
#include <string>
#include "casm/global/definitions.hh"
#include "casm/monte_carlo/MonteCounter.hh"
#include "casm/monte_carlo/MonteSampler.hh"

Go to the source code of this file.

Classes
class	CASM::Monte::MonteCarloDirectoryStructure
struct	CASM::Monte::CovEvaluator
	Functor to help evaluate covariance. More...

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...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloTFormatter ()
	Print Temperature. More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloBetaFormatter ()
	Print Beta. More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloParamChemPotFormatter (const MonteType &mc, int index)
	Print param_chem_pot(x) More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloChemPotFormatter (const MonteType &mc, int index)
	Print chem_pot(N) More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloCompFormatter (const MonteType &mc, int index)
	Print comp(x) More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloCompNFormatter (const MonteType &mc, int index)
	Print comp_n(N) More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloHeatCapacityFormatter ()
	Print heat capacity, 'heat_capacity'. More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloSuscXFormatter (std::string comp_var_i, std::string comp_var_j)
	Print parametric susceptibility, 'susc_x(a,b)'. More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloSuscNFormatter (std::string species_i, std::string species_j)
	Print susceptibility, 'susc_n(A,B)'. More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloThermoChemSuscXFormatter (std::string comp_var_i)
	Print parametric thermo-chemical susceptibility, 'susc_x(S,a)'. More...
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr >	CASM::Monte::MonteCarloThermoChemSuscNFormatter (std::string species_i)
	Print thermo-chemical susceptibility, 'susc_n(S,A)'. 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...
template<typename MonteType >
void	CASM::Monte::write_results (const MonteSettings &settings, const MonteType &mc, Log &_log)
	Will create new file or append to existing file results of the latest run. More...
template<typename MonteType >
void	CASM::Monte::write_conditions_json (const MonteSettings &settings, const MonteType &mc, size_type cond_index, Log &_log)
	Write conditions to conditions.cond_index directory. 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...