#include "QMCFlags.h"#include "QMCLineSearchStepLengthSelectionAlgorithm.h"#include "QMCLineSearchStepLengthSelectionFactory.h"Go to the source code of this file.
Functions | |
| ostream & | operator<< (ostream &strm, QMCFlags &flags) |
| ostream& operator<< | ( | ostream & | strm, | |
| QMCFlags & | flags | |||
| ) |
The same format is used as in the QMC input file.
Definition at line 968 of file QMCFlags.cpp.
References QMCFlags::a_diag, QMCFlags::basis_function_interpolation_first_point, QMCFlags::branching_method, QMCFlags::branching_threshold, QMCFlags::calculate_bf_density, QMCFlags::charge, QMCFlags::checkout_file_name, QMCFlags::checkpoint, QMCFlags::checkpoint_energy_only, QMCFlags::checkpoint_interval, QMCFlags::chip_and_mike_are_cool, QMCFlags::ck_genetic_algorithm_1_initial_distribution_deviation, QMCFlags::ck_genetic_algorithm_1_mutation_rate, QMCFlags::ck_genetic_algorithm_1_population_size, QMCFlags::CKAnnealingEquilibration1_parameter, QMCFlags::correct_population_size_bias, QMCFlags::desired_convergence, QMCFlags::dt, QMCFlags::dt_equilibration, QMCFlags::dt_run, QMCFlags::energy_cutoff_type, QMCFlags::energy_modification_type, QMCFlags::energy_trial, QMCFlags::equilibrate_every_opt_step, QMCFlags::equilibrate_first_opt_step, QMCFlags::equilibration_function, QMCFlags::equilibration_steps, QMCFlags::fusion_threshold, QMCFlags::future_walking, QMCFlags::hf_num_average, QMCFlags::iseed, QMCFlags::ksi, QMCFlags::limit_branching, QMCFlags::line_search_step_length, QMCFlags::link_Determinant_parameters, QMCFlags::link_Jastrow_parameters, QMCFlags::link_NEE_Jastrows, QMCFlags::link_Orbital_parameters, QMCFlags::lock_trial_energy, QMCFlags::max_optimize_Psi_steps, QMCFlags::max_pair_distance, QMCFlags::max_time, QMCFlags::max_time_steps, QMCFlags::mpipoll_interval, QMCFlags::mpireduce_interval, QMCFlags::Natoms, QMCFlags::Nbasisfunc, QMCFlags::Ndeterminants, QMCFlags::Norbitals, QMCFlags::nuclear_derivatives, QMCFlags::number_basis_function_interpolation_grid_points, QMCFlags::number_of_walkers_initial, QMCFlags::numerical_derivative_surface, QMCFlags::old_walker_acceptance_parameter, QMCFlags::one_e_per_iter, QMCFlags::oppxCorrelationDiagramMax, QMCFlags::oppxCorrelationDiagramMin, QMCFlags::oppyCorrelationDiagramMax, QMCFlags::oppyCorrelationDiagramMin, QMCFlags::oppzCorrelationDiagramMax, QMCFlags::oppzCorrelationDiagramMin, QMCFlags::optimization_error_tolerance, QMCFlags::optimization_max_iterations, QMCFlags::optimize_CI, QMCFlags::optimize_EE_Jastrows, QMCFlags::optimize_EN_Jastrows, QMCFlags::optimize_L, QMCFlags::optimize_NEE_Jastrows, QMCFlags::optimize_Orbitals, QMCFlags::optimize_Psi, QMCFlags::optimize_Psi_barrier_parameter, QMCFlags::optimize_Psi_criteria, QMCFlags::optimize_Psi_method, QMCFlags::output_interval, QMCFlags::parallelization_method, QMCFlags::pllxCorrelationDiagramMax, QMCFlags::pllxCorrelationDiagramMin, QMCFlags::pllyCorrelationDiagramMax, QMCFlags::pllyCorrelationDiagramMin, QMCFlags::pllzCorrelationDiagramMax, QMCFlags::pllzCorrelationDiagramMin, QMCFlags::population_control_parameter, QMCFlags::print_config_frequency, QMCFlags::print_configs, QMCFlags::print_transient_properties, QMCFlags::print_transient_properties_interval, QMCFlags::psuedo_cutoff, QMCFlags::psuedo_gridLevel, QMCFlags::QF_modification_type, QMCFlags::rel_cutoff, QMCFlags::replace_electron_nucleus_cusps, QMCFlags::reproduce_EE_with_NEE_jastrow, QMCFlags::reproduce_NE_with_NEE_jastrow, QMCFlags::run_type, QMCFlags::sampling_method, QMCFlags::singularity_penalty_function_parameter, QMCFlags::synchronize_dmc_ensemble, QMCFlags::synchronize_dmc_ensemble_interval, QMCFlags::temp_dir, QMCFlags::trial_function_type, QMCFlags::umrigar93_equalelectrons_parameter, QMCFlags::use_available_checkpoints, QMCFlags::use_basis_function_interpolation, QMCFlags::use_equilibration_array, QMCFlags::use_hf_potential, QMCFlags::use_three_body_jastrow, QMCFlags::walker_initialization_combinations, QMCFlags::walker_initialization_method, QMCFlags::walker_reweighting_method, QMCFlags::walkers_per_pass, QMCFlags::warn_verbosity, QMCFlags::write_all_energies_out, QMCFlags::write_electron_densities, QMCFlags::writeOppxCorrelationDiagram, QMCFlags::writeOppyCorrelationDiagram, QMCFlags::writeOppzCorrelationDiagram, QMCFlags::writePllxCorrelationDiagram, QMCFlags::writePllyCorrelationDiagram, QMCFlags::writePllzCorrelationDiagram, and QMCFlags::zero_out_checkpoint_statistics.
1.5.6