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Public Attributes | List of all members
occ::xtb::EwaldGammaData Struct Reference

#include <periodic_gamma.h>

Public Attributes

double alpha
 
double erfc_cutoff
 
double residual_cutoff
 
double recip_cutoff
 
double gamma_rcut
 
std::vector< LatticeImage > images
 
std::vector< Vec3 > g_vectors
 
std::vector< double > g_coeffs
 
double background
 
double self_term
 

Member Data Documentation

◆ alpha

double occ::xtb::EwaldGammaData::alpha

◆ background

double occ::xtb::EwaldGammaData::background

◆ erfc_cutoff

double occ::xtb::EwaldGammaData::erfc_cutoff

◆ g_coeffs

std::vector<double> occ::xtb::EwaldGammaData::g_coeffs

◆ g_vectors

std::vector<Vec3> occ::xtb::EwaldGammaData::g_vectors

◆ gamma_rcut

double occ::xtb::EwaldGammaData::gamma_rcut

◆ images

std::vector<LatticeImage> occ::xtb::EwaldGammaData::images

◆ recip_cutoff

double occ::xtb::EwaldGammaData::recip_cutoff

◆ residual_cutoff

double occ::xtb::EwaldGammaData::residual_cutoff

◆ self_term

double occ::xtb::EwaldGammaData::self_term
The documentation for this struct was generated from the following file: