occ::core::charges::EeqEwaldData Struct Reference

#include <eeq.h>

Public Attributes
occ::Mat3	lattice_bohr
occ::Mat3	reciprocal_bohr
double	alpha
double	erfc_cutoff
double	recip_cutoff
double	four_pi_over_V
double	inv4a2
double	background
double	self_term

Member Data Documentation

alpha

double occ::core::charges::EeqEwaldData::alpha

background

double occ::core::charges::EeqEwaldData::background

erfc_cutoff

double occ::core::charges::EeqEwaldData::erfc_cutoff

four_pi_over_V

double occ::core::charges::EeqEwaldData::four_pi_over_V

inv4a2

double occ::core::charges::EeqEwaldData::inv4a2

lattice_bohr

occ::Mat3 occ::core::charges::EeqEwaldData::lattice_bohr

recip_cutoff

double occ::core::charges::EeqEwaldData::recip_cutoff

reciprocal_bohr

occ::Mat3 occ::core::charges::EeqEwaldData::reciprocal_bohr

self_term

double occ::core::charges::EeqEwaldData::self_term

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

• /home/runner/work/occ/occ/include/occ/core/eeq.h