Scine::Swoose  2.1.0
This is the SCINE module Swoose.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Public Attributes | List of all members
Scine::Qmmm::QmmmModel Struct Reference

Holds the information about one QM/MM model: its structure, its QM atom indices, and its charge and spin multiplicity. More...

#include <QmRegionSelector.h>

Collaboration diagram for Scine::Qmmm::QmmmModel:
Collaboration graph

Public Attributes

Utils::AtomCollection structure
 
std::vector< int > qmAtomIndices
 
int molecularCharge
 
int spinMultiplicity
 

Detailed Description

Holds the information about one QM/MM model: its structure, its QM atom indices, and its charge and spin multiplicity.

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