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Parameters::basin_hopping_options_t Struct Reference

#include <Parameters.h>

Public Attributes

double displacement {0.5}
double initial_random_structure_probability {0.0}
double push_apart_distance {0.4}
long steps {10000}
long quenching_steps {0}
bool significant_structure {true}
bool single_atom_displace {false}
std::string displacement_algorithm {"standard"}
std::string displacement_distribution {"uniform"}
double swap_probability {0.0}
long jump_max {10}
long jump_steps {0}
bool adjust_displacement {true}
long adjust_period {10}
double adjust_fraction {0.05}
double target_ratio {0.5}
bool write_unique {false}
double stop_energy {-std::numeric_limits<double>::max()}

Detailed Description

Definition at line 608 of file Parameters.h.

Member Data Documentation

◆ adjust_displacement

bool eonc::Parameters::basin_hopping_options_t::adjust_displacement {true}

Definition at line 621 of file Parameters.h.

621{true};

◆ adjust_fraction

double eonc::Parameters::basin_hopping_options_t::adjust_fraction {0.05}

Definition at line 623 of file Parameters.h.

623{0.05};

◆ adjust_period

long eonc::Parameters::basin_hopping_options_t::adjust_period {10}

Definition at line 622 of file Parameters.h.

622{10};

◆ displacement

double eonc::Parameters::basin_hopping_options_t::displacement {0.5}

Definition at line 609 of file Parameters.h.

609{0.5};

◆ displacement_algorithm

std::string eonc::Parameters::basin_hopping_options_t::displacement_algorithm {"standard"}

Definition at line 616 of file Parameters.h.

616{"standard"};

◆ displacement_distribution

std::string eonc::Parameters::basin_hopping_options_t::displacement_distribution {"uniform"}

Definition at line 617 of file Parameters.h.

617{"uniform"};

◆ initial_random_structure_probability

double eonc::Parameters::basin_hopping_options_t::initial_random_structure_probability {0.0}

Definition at line 610 of file Parameters.h.

610{0.0};

◆ jump_max

long eonc::Parameters::basin_hopping_options_t::jump_max {10}

Definition at line 619 of file Parameters.h.

619{10};

◆ jump_steps

long eonc::Parameters::basin_hopping_options_t::jump_steps {0}

Definition at line 620 of file Parameters.h.

620{0};

◆ push_apart_distance

double eonc::Parameters::basin_hopping_options_t::push_apart_distance {0.4}

Definition at line 611 of file Parameters.h.

611{0.4};

◆ quenching_steps

long eonc::Parameters::basin_hopping_options_t::quenching_steps {0}

Definition at line 613 of file Parameters.h.

613{0};

◆ significant_structure

bool eonc::Parameters::basin_hopping_options_t::significant_structure {true}

Definition at line 614 of file Parameters.h.

614{true};

◆ single_atom_displace

bool eonc::Parameters::basin_hopping_options_t::single_atom_displace {false}

Definition at line 615 of file Parameters.h.

615{false};

◆ steps

long eonc::Parameters::basin_hopping_options_t::steps {10000}

Definition at line 612 of file Parameters.h.

612{10000};

◆ stop_energy

double eonc::Parameters::basin_hopping_options_t::stop_energy {-std::numeric_limits<double>::max()}

Definition at line 626 of file Parameters.h.

626{-std::numeric_limits<double>::max()};

◆ swap_probability

double eonc::Parameters::basin_hopping_options_t::swap_probability {0.0}

Definition at line 618 of file Parameters.h.

618{0.0};

◆ target_ratio

double eonc::Parameters::basin_hopping_options_t::target_ratio {0.5}

Definition at line 624 of file Parameters.h.

624{0.5};

◆ write_unique

bool eonc::Parameters::basin_hopping_options_t::write_unique {false}

Definition at line 625 of file Parameters.h.

625{false};
The documentation for this struct was generated from the following file: