Loading...
Searching...
No Matches
eonc::dftd_options_t Struct Reference

#include <ParametersOptions.h>

Public Attributes

std::string functional {"pbe"}
bool atm {true}
std::string d3_damping {"bj"}
double d4_charge {0.0}

Detailed Description

Definition at line 103 of file ParametersOptions.h.

Member Data Documentation

◆ atm

bool eonc::dftd_options_t::atm {true}

Definition at line 105 of file ParametersOptions.h.

105{true};

◆ d3_damping

std::string eonc::dftd_options_t::d3_damping {"bj"}

Definition at line 106 of file ParametersOptions.h.

106{"bj"};

◆ d4_charge

double eonc::dftd_options_t::d4_charge {0.0}

Definition at line 107 of file ParametersOptions.h.

107{0.0};

◆ functional

std::string eonc::dftd_options_t::functional {"pbe"}

Definition at line 104 of file ParametersOptions.h.

104{"pbe"};
The documentation for this struct was generated from the following file: