#include <ParametersOptions.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 702 of file ParametersOptions.h.

Member Data Documentation

◆ adjust_displacement

bool eonc::basin_hopping_options_t::adjust_displacement {true}

Definition at line 715 of file ParametersOptions.h.

715{true};

◆ adjust_fraction

double eonc::basin_hopping_options_t::adjust_fraction {0.05}

Definition at line 717 of file ParametersOptions.h.

717{0.05};

◆ adjust_period

long eonc::basin_hopping_options_t::adjust_period {10}

Definition at line 716 of file ParametersOptions.h.

716{10};

◆ displacement

double eonc::basin_hopping_options_t::displacement {0.5}

Definition at line 703 of file ParametersOptions.h.

703{0.5};

◆ displacement_algorithm

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

Definition at line 710 of file ParametersOptions.h.

710{"standard"};

◆ displacement_distribution

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

Definition at line 711 of file ParametersOptions.h.

711{"uniform"};

◆ initial_random_structure_probability

double eonc::basin_hopping_options_t::initial_random_structure_probability {0.0}

Definition at line 704 of file ParametersOptions.h.

704{0.0};

◆ jump_max

long eonc::basin_hopping_options_t::jump_max {10}

Definition at line 713 of file ParametersOptions.h.

713{10};

◆ jump_steps

long eonc::basin_hopping_options_t::jump_steps {0}

Definition at line 714 of file ParametersOptions.h.

714{0};

◆ push_apart_distance

double eonc::basin_hopping_options_t::push_apart_distance {0.4}

Definition at line 705 of file ParametersOptions.h.

705{0.4};

◆ quenching_steps

long eonc::basin_hopping_options_t::quenching_steps {0}

Definition at line 707 of file ParametersOptions.h.

707{0};

◆ significant_structure

bool eonc::basin_hopping_options_t::significant_structure {true}

Definition at line 708 of file ParametersOptions.h.

708{true};

◆ single_atom_displace

bool eonc::basin_hopping_options_t::single_atom_displace {false}

Definition at line 709 of file ParametersOptions.h.

709{false};

◆ steps

long eonc::basin_hopping_options_t::steps {10000}

Definition at line 706 of file ParametersOptions.h.

706{10000};

◆ stop_energy

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

Definition at line 720 of file ParametersOptions.h.

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

◆ swap_probability

double eonc::basin_hopping_options_t::swap_probability {0.0}

Definition at line 712 of file ParametersOptions.h.

712{0.0};

◆ target_ratio

double eonc::basin_hopping_options_t::target_ratio {0.5}

Definition at line 718 of file ParametersOptions.h.

718{0.5};

◆ write_unique

bool eonc::basin_hopping_options_t::write_unique {false}

Definition at line 719 of file ParametersOptions.h.

719{false};

The documentation for this struct was generated from the following file:

/home/runner/work/eOn/eOn/include/eon/ParametersOptions.h

Public Attributes