eonc::optimizer_options_t::lbfgs_t Struct Reference

#include <ParametersOptions.h>

Public Attributes
long	memory {20}
double	inverse_curvature {0.01}
double	max_inverse_curvature {0.0}
bool	auto_scale {true}
bool	angle_reset {true}
bool	distance_reset {true}
std::string	curvature {"reset"}
bool	project_rigid {false}
std::string	secant {"standard"}
std::string	precon {"none"}
std::string	step {"lbfgs"}
std::string	h0 {"sy_yy"}
std::string	accept {"energy"}
long	extra_updates {0}
double	cautious_eps {1.0e-6}
double	cautious_alpha {0.01}
double	precon_A {3.0}
double	precon_mu {1.0}
double	precon_rcut {0.0}

Detailed Description

Definition at line 257 of file ParametersOptions.h.

Member Data Documentation

accept

std::string eonc::optimizer_options_t::lbfgs_t::accept {"energy"}

Definition at line 274 of file ParametersOptions.h.

{"energy"};

angle_reset

bool eonc::optimizer_options_t::lbfgs_t::angle_reset {true}

Definition at line 262 of file ParametersOptions.h.

{true};

auto_scale

bool eonc::optimizer_options_t::lbfgs_t::auto_scale {true}

Definition at line 261 of file ParametersOptions.h.

{true};

cautious_alpha

double eonc::optimizer_options_t::lbfgs_t::cautious_alpha {0.01}

Definition at line 277 of file ParametersOptions.h.

{0.01};

cautious_eps

double eonc::optimizer_options_t::lbfgs_t::cautious_eps {1.0e-6}

Definition at line 276 of file ParametersOptions.h.

{1.0e-6};

curvature

std::string eonc::optimizer_options_t::lbfgs_t::curvature {"reset"}

Definition at line 266 of file ParametersOptions.h.

{"reset"};

distance_reset

bool eonc::optimizer_options_t::lbfgs_t::distance_reset {true}

Definition at line 263 of file ParametersOptions.h.

{true};

extra_updates

long eonc::optimizer_options_t::lbfgs_t::extra_updates {0}

Definition at line 275 of file ParametersOptions.h.

{0};

h0

std::string eonc::optimizer_options_t::lbfgs_t::h0 {"sy_yy"}

Definition at line 273 of file ParametersOptions.h.

{"sy_yy"};

inverse_curvature

double eonc::optimizer_options_t::lbfgs_t::inverse_curvature {0.01}

Definition at line 259 of file ParametersOptions.h.

{0.01};

max_inverse_curvature

double eonc::optimizer_options_t::lbfgs_t::max_inverse_curvature {0.0}

Definition at line 260 of file ParametersOptions.h.

{0.0};

memory

long eonc::optimizer_options_t::lbfgs_t::memory {20}

Definition at line 258 of file ParametersOptions.h.

{20};

precon

std::string eonc::optimizer_options_t::lbfgs_t::precon {"none"}

Definition at line 271 of file ParametersOptions.h.

{"none"};

precon_A

double eonc::optimizer_options_t::lbfgs_t::precon_A {3.0}

Definition at line 278 of file ParametersOptions.h.

{3.0};

precon_mu

double eonc::optimizer_options_t::lbfgs_t::precon_mu {1.0}

Definition at line 279 of file ParametersOptions.h.

{1.0};

precon_rcut

double eonc::optimizer_options_t::lbfgs_t::precon_rcut {0.0}

Definition at line 280 of file ParametersOptions.h.

{0.0};

project_rigid

bool eonc::optimizer_options_t::lbfgs_t::project_rigid {false}

Definition at line 269 of file ParametersOptions.h.

{false};

secant

std::string eonc::optimizer_options_t::lbfgs_t::secant {"standard"}

Definition at line 270 of file ParametersOptions.h.

{"standard"};

step

std::string eonc::optimizer_options_t::lbfgs_t::step {"lbfgs"}

Definition at line 272 of file ParametersOptions.h.

{"lbfgs"};

---

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

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