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Parameters::gpr_dimer_options_t Struct Reference

#include <Parameters.h>

Classes

struct  gpr_params_t
struct  opt_params_t
struct  prune_params_t
struct  debug_params_t

Public Attributes

double rotation_angle {0.005}
double converged_angle {0.08}
double relax_conv_angle {0.001}
long init_rotations_max {6}
long relax_rotations_max {10}
long divisor_t_dimer_gp {10}
long max_outer_iterations {300}
long max_inner_iterations {1000}
double midpoint_max_disp {0.5}
std::string rot_opt_method {"lbfgs"}
std::string trans_opt_method {"lbfgs"}
double active_radius {5.0}
double dimer_sep {0.01}
double conv_step {0.1}
double max_step {0.1}
double ratio_at_limit {0.66667}
bool init_rot_gp {false}
bool init_trans_gp {false}
bool many_iterations {true}
struct eonc::Parameters::gpr_dimer_options_t::gpr_params_t gpr_params
struct eonc::Parameters::gpr_dimer_options_t::opt_params_t opt_params
struct eonc::Parameters::gpr_dimer_options_t::prune_params_t prune_params
struct eonc::Parameters::gpr_dimer_options_t::debug_params_t debug_params

Detailed Description

Definition at line 280 of file Parameters.h.

Member Data Documentation

◆ active_radius

double eonc::Parameters::gpr_dimer_options_t::active_radius {5.0}

Definition at line 292 of file Parameters.h.

292{5.0};

◆ conv_step

double eonc::Parameters::gpr_dimer_options_t::conv_step {0.1}

Definition at line 294 of file Parameters.h.

294{0.1};

◆ converged_angle

double eonc::Parameters::gpr_dimer_options_t::converged_angle {0.08}

Definition at line 282 of file Parameters.h.

282{0.08};

◆ debug_params

struct eonc::Parameters::gpr_dimer_options_t::debug_params_t eonc::Parameters::gpr_dimer_options_t::debug_params

◆ dimer_sep

double eonc::Parameters::gpr_dimer_options_t::dimer_sep {0.01}

Definition at line 293 of file Parameters.h.

293{0.01};

◆ divisor_t_dimer_gp

long eonc::Parameters::gpr_dimer_options_t::divisor_t_dimer_gp {10}

Definition at line 286 of file Parameters.h.

286{10};

◆ gpr_params

struct eonc::Parameters::gpr_dimer_options_t::gpr_params_t eonc::Parameters::gpr_dimer_options_t::gpr_params

◆ init_rot_gp

bool eonc::Parameters::gpr_dimer_options_t::init_rot_gp {false}

Definition at line 297 of file Parameters.h.

297{false};

◆ init_rotations_max

long eonc::Parameters::gpr_dimer_options_t::init_rotations_max {6}

Definition at line 284 of file Parameters.h.

284{6};

◆ init_trans_gp

bool eonc::Parameters::gpr_dimer_options_t::init_trans_gp {false}

Definition at line 298 of file Parameters.h.

298{false};

◆ many_iterations

bool eonc::Parameters::gpr_dimer_options_t::many_iterations {true}

Definition at line 299 of file Parameters.h.

299{true};

◆ max_inner_iterations

long eonc::Parameters::gpr_dimer_options_t::max_inner_iterations {1000}

Definition at line 288 of file Parameters.h.

288{1000};

◆ max_outer_iterations

long eonc::Parameters::gpr_dimer_options_t::max_outer_iterations {300}

Definition at line 287 of file Parameters.h.

287{300};

◆ max_step

double eonc::Parameters::gpr_dimer_options_t::max_step {0.1}

Definition at line 295 of file Parameters.h.

295{0.1};

◆ midpoint_max_disp

double eonc::Parameters::gpr_dimer_options_t::midpoint_max_disp {0.5}

Definition at line 289 of file Parameters.h.

289{0.5};

◆ opt_params

struct eonc::Parameters::gpr_dimer_options_t::opt_params_t eonc::Parameters::gpr_dimer_options_t::opt_params

◆ prune_params

struct eonc::Parameters::gpr_dimer_options_t::prune_params_t eonc::Parameters::gpr_dimer_options_t::prune_params

◆ ratio_at_limit

double eonc::Parameters::gpr_dimer_options_t::ratio_at_limit {0.66667}

Definition at line 296 of file Parameters.h.

296{0.66667};

◆ relax_conv_angle

double eonc::Parameters::gpr_dimer_options_t::relax_conv_angle {0.001}

Definition at line 283 of file Parameters.h.

283{0.001};

◆ relax_rotations_max

long eonc::Parameters::gpr_dimer_options_t::relax_rotations_max {10}

Definition at line 285 of file Parameters.h.

285{10};

◆ rot_opt_method

std::string eonc::Parameters::gpr_dimer_options_t::rot_opt_method {"lbfgs"}

Definition at line 290 of file Parameters.h.

290{"lbfgs"};

◆ rotation_angle

double eonc::Parameters::gpr_dimer_options_t::rotation_angle {0.005}

Definition at line 281 of file Parameters.h.

281{0.005};

◆ trans_opt_method

std::string eonc::Parameters::gpr_dimer_options_t::trans_opt_method {"lbfgs"}

Definition at line 291 of file Parameters.h.

291{"lbfgs"};
The documentation for this struct was generated from the following file: