CASM  1.1.0
A Clusters Approach to Statistical Mechanics
MonteIO_impl.hh File Reference
#include <boost/filesystem.hpp>
#include <boost/filesystem/fstream.hpp>
#include "casm/casm_io/Log.hh"
#include "casm/casm_io/dataformatter/DataFormatterTools.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/crystallography/BasicStructure.hh"
#include "casm/crystallography/Structure.hh"
#include "casm/monte_carlo/MonteCarlo.hh"
#include "casm/monte_carlo/MonteIO.hh"
#include "casm/monte_carlo/MonteSettings.hh"

Go to the source code of this file.

Namespaces

 CASM
 Main CASM namespace.
 
 CASM::Monte
 

Functions

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::MonteCarloSiteFracFormatter (const MonteType &mc, int index)
 Print site_frac(x) for any class MonteType with valid 'Eigen::VectorXd MonteType::comp_n'. More...
 
template<typename MonteType >
GenericDatumFormatter< double, ConstMonteCarloPtr > CASM::Monte::MonteCarloAtomFracFormatter (const MonteType &mc, int index)
 Print atom_frac(X) for any class MonteType with valid 'Eigen::VectorXd MonteType::comp_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...
 
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...