occ
Loading...
Searching...
No Matches
occ::interaction::polarization_partitioning::MoleculeCouplingResults Struct Reference

Results from coupling term calculation for a central molecule. More...

#include <polarization_partitioning.h>

Collaboration diagram for occ::interaction::polarization_partitioning::MoleculeCouplingResults:
[legend]

Public Attributes

size_t molecule_idx
 Index of central molecule.
 
std::vector< CouplingTermcouplings
 All pairwise coupling terms for this molecule.
 

Detailed Description

Results from coupling term calculation for a central molecule.

Member Data Documentation

◆ couplings

std::vector<CouplingTerm> occ::interaction::polarization_partitioning::MoleculeCouplingResults::couplings

All pairwise coupling terms for this molecule.

◆ molecule_idx

size_t occ::interaction::polarization_partitioning::MoleculeCouplingResults::molecule_idx

Index of central molecule.


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