#include <gfn2_parameters.h>

Public Attributes
std::array< double, 4 >	kshell {}

double	ksp {0.0}

double	ksd {0.0}

double	kpd {0.0}

double	kdiff {0.0}

double	enscale {0.0}

double	enscale4 {0.0}

double	ipeashift_au {0.0}

std::array< std::array< double, 2 >, 4 >	gam3shell {}

double	aesshift {0.0}

double	aesexp {0.0}

double	aesrmax {0.0}

double	aesdmp3 {0.0}

double	aesdmp5 {0.0}

double	alphaj {0.0}

double	a1 {0.0}

double	a2 {0.0}

double	s6 {1.0}

double	s8 {0.0}

double	s9 {0.0}

double	kexp {0.0}

double	kexplight {0.0}

Member Data Documentation

◆ a1

double occ::xtb::GlobalParam::a1 {0.0}

◆ a2

double occ::xtb::GlobalParam::a2 {0.0}

◆ aesdmp3

double occ::xtb::GlobalParam::aesdmp3 {0.0}

◆ aesdmp5

double occ::xtb::GlobalParam::aesdmp5 {0.0}

◆ aesexp

double occ::xtb::GlobalParam::aesexp {0.0}

◆ aesrmax

double occ::xtb::GlobalParam::aesrmax {0.0}

◆ aesshift

double occ::xtb::GlobalParam::aesshift {0.0}

◆ alphaj

double occ::xtb::GlobalParam::alphaj {0.0}

◆ enscale

double occ::xtb::GlobalParam::enscale {0.0}

◆ enscale4

double occ::xtb::GlobalParam::enscale4 {0.0}

◆ gam3shell

std::array<std::array<double, 2>, 4> occ::xtb::GlobalParam::gam3shell {}

◆ ipeashift_au

double occ::xtb::GlobalParam::ipeashift_au {0.0}

◆ kdiff

double occ::xtb::GlobalParam::kdiff {0.0}

◆ kexp

double occ::xtb::GlobalParam::kexp {0.0}

◆ kexplight

double occ::xtb::GlobalParam::kexplight {0.0}

◆ kpd

double occ::xtb::GlobalParam::kpd {0.0}

◆ ksd

double occ::xtb::GlobalParam::ksd {0.0}

◆ kshell

std::array<double, 4> occ::xtb::GlobalParam::kshell {}

◆ ksp

double occ::xtb::GlobalParam::ksp {0.0}

◆ s6

double occ::xtb::GlobalParam::s6 {1.0}

◆ s8

double occ::xtb::GlobalParam::s8 {0.0}

◆ s9

double occ::xtb::GlobalParam::s9 {0.0}

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

/home/runner/work/occ/occ/include/occ/xtb/gfn2_parameters.h

Public Attributes