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eonc::Parameters::structure_comparison_options_t Struct Reference

#include <Parameters.h>

Public Attributes

double distance_difference {0.1}
double neighbor_cutoff {3.3}
bool check_rotation {false}
bool indistinguishable_atoms {true}
double energy_difference {0.01}
bool remove_translation {true}

Detailed Description

Definition at line 164 of file Parameters.h.

Member Data Documentation

◆ check_rotation

bool eonc::Parameters::structure_comparison_options_t::check_rotation {false}

Definition at line 167 of file Parameters.h.

167{false};

◆ distance_difference

double eonc::Parameters::structure_comparison_options_t::distance_difference {0.1}

Definition at line 165 of file Parameters.h.

165{0.1};

◆ energy_difference

double eonc::Parameters::structure_comparison_options_t::energy_difference {0.01}

Definition at line 169 of file Parameters.h.

169{0.01};

◆ indistinguishable_atoms

bool eonc::Parameters::structure_comparison_options_t::indistinguishable_atoms {true}

Definition at line 168 of file Parameters.h.

168{true};

◆ neighbor_cutoff

double eonc::Parameters::structure_comparison_options_t::neighbor_cutoff {3.3}

Definition at line 166 of file Parameters.h.

166{3.3};

◆ remove_translation

bool eonc::Parameters::structure_comparison_options_t::remove_translation {true}

Definition at line 170 of file Parameters.h.

170{true};
The documentation for this struct was generated from the following file: