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CASM
1.1.0
A Clusters Approach to Statistical Mechanics
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#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... | |