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occ::mults::PairEnergyDebug Struct Reference

#include <crystal_energy.h>

Public Attributes

int mol_i
int mol_j
IVec3 cell_shift
double com_distance = 0.0
double electrostatic = 0.0
double short_range = 0.0
int short_range_site_pairs = 0
double total = 0.0
double weight = 1.0

Member Data Documentation

◆ cell_shift

IVec3 occ::mults::PairEnergyDebug::cell_shift

◆ com_distance

double occ::mults::PairEnergyDebug::com_distance = 0.0

◆ electrostatic

double occ::mults::PairEnergyDebug::electrostatic = 0.0

◆ mol_i

int occ::mults::PairEnergyDebug::mol_i

◆ mol_j

int occ::mults::PairEnergyDebug::mol_j

◆ short_range

double occ::mults::PairEnergyDebug::short_range = 0.0

◆ short_range_site_pairs

int occ::mults::PairEnergyDebug::short_range_site_pairs = 0

◆ total

double occ::mults::PairEnergyDebug::total = 0.0

◆ weight

double occ::mults::PairEnergyDebug::weight = 1.0
The documentation for this struct was generated from the following file: