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eonc::mopac_options_t Struct Reference

#include <ParametersOptions.h>

Public Attributes

int charge {0}
int spin {0}
int model {4}
std::string engine_path

Detailed Description

Definition at line 117 of file ParametersOptions.h.

Member Data Documentation

◆ charge

int eonc::mopac_options_t::charge {0}

Definition at line 118 of file ParametersOptions.h.

118{0};

◆ engine_path

std::string eonc::mopac_options_t::engine_path

Definition at line 121 of file ParametersOptions.h.

◆ model

int eonc::mopac_options_t::model {4}

Definition at line 120 of file ParametersOptions.h.

120{4};

◆ spin

int eonc::mopac_options_t::spin {0}

Definition at line 119 of file ParametersOptions.h.

119{0};
The documentation for this struct was generated from the following file: