eonc::Parameters::neb_options_t Struct Reference

#include <Parameters.h>

Classes
struct	mmf_peak_options_t
struct	spring_options_t
struct	climbing_image_options_t
struct	path_initialization_t
struct	endpoint_options_t

Public Attributes
long	image_count {5}
long	max_iterations {1000}
OptType	opt_method {OptType::LBFGS}
double	force_tolerance
struct eonc::Parameters::neb_options_t::mmf_peak_options_t	mmf_peaks
struct eonc::Parameters::neb_options_t::spring_options_t	spring
struct eonc::Parameters::neb_options_t::climbing_image_options_t	climbing_image
struct eonc::Parameters::neb_options_t::path_initialization_t	initialization
struct eonc::Parameters::neb_options_t::endpoint_options_t	endpoints

Detailed Description

Definition at line 467 of file Parameters.h.

Member Data Documentation

climbing_image

struct eonc::Parameters::neb_options_t::climbing_image_options_t eonc::Parameters::neb_options_t::climbing_image

endpoints

struct eonc::Parameters::neb_options_t::endpoint_options_t eonc::Parameters::neb_options_t::endpoints

force_tolerance

double eonc::Parameters::neb_options_t::force_tolerance

Initial value:

{
        0.01}

Definition at line 471 of file Parameters.h.

                          {
        0.01}; // resolved to optimizer_options.converged_force

image_count

long eonc::Parameters::neb_options_t::image_count {5}

Definition at line 468 of file Parameters.h.

{5};

initialization

struct eonc::Parameters::neb_options_t::path_initialization_t eonc::Parameters::neb_options_t::initialization

max_iterations

long eonc::Parameters::neb_options_t::max_iterations {1000}

Definition at line 469 of file Parameters.h.

{1000};

mmf_peaks

struct eonc::Parameters::neb_options_t::mmf_peak_options_t eonc::Parameters::neb_options_t::mmf_peaks

opt_method

OptType eonc::Parameters::neb_options_t::opt_method {OptType::LBFGS}

Definition at line 470 of file Parameters.h.

{OptType::LBFGS};

spring

struct eonc::Parameters::neb_options_t::spring_options_t eonc::Parameters::neb_options_t::spring

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

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