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eonc::ase_orca_options_t Struct Reference

#include <ParametersOptions.h>

Public Attributes

std::string path
std::string nproc {"1"}
std::string simpleinput
int charge {0}
int multiplicity {1}

Detailed Description

Definition at line 397 of file ParametersOptions.h.

Member Data Documentation

◆ charge

int eonc::ase_orca_options_t::charge {0}

Definition at line 401 of file ParametersOptions.h.

401{0};

◆ multiplicity

int eonc::ase_orca_options_t::multiplicity {1}

Definition at line 402 of file ParametersOptions.h.

402{1};

◆ nproc

std::string eonc::ase_orca_options_t::nproc {"1"}

Definition at line 399 of file ParametersOptions.h.

399{"1"};

◆ path

std::string eonc::ase_orca_options_t::path

Definition at line 398 of file ParametersOptions.h.

◆ simpleinput

std::string eonc::ase_orca_options_t::simpleinput

Definition at line 400 of file ParametersOptions.h.

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