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eonc::neb_options_t::spring_options_t Struct Reference

#include <ParametersOptions.h>

Classes

struct  energy_weighting_t
struct  onsager_machlup_t

Public Attributes

double constant {5.0}
bool use_elastic_band {false}
bool doubly_nudged {false}
bool use_switching {false}
struct eonc::neb_options_t::spring_options_t::energy_weighting_t weighting
struct eonc::neb_options_t::spring_options_t::onsager_machlup_t om

Detailed Description

Definition at line 531 of file ParametersOptions.h.

Member Data Documentation

◆ constant

double eonc::neb_options_t::spring_options_t::constant {5.0}

Definition at line 532 of file ParametersOptions.h.

532{5.0};

◆ doubly_nudged

bool eonc::neb_options_t::spring_options_t::doubly_nudged {false}

Definition at line 534 of file ParametersOptions.h.

534{false};

◆ om

struct eonc::neb_options_t::spring_options_t::onsager_machlup_t eonc::neb_options_t::spring_options_t::om

◆ use_elastic_band

bool eonc::neb_options_t::spring_options_t::use_elastic_band {false}

Definition at line 533 of file ParametersOptions.h.

533{false};

◆ use_switching

bool eonc::neb_options_t::spring_options_t::use_switching {false}

Definition at line 535 of file ParametersOptions.h.

535{false};

◆ weighting

struct eonc::neb_options_t::spring_options_t::energy_weighting_t eonc::neb_options_t::spring_options_t::weighting
The documentation for this struct was generated from the following file: