#include <ComputeQM.h>

Public Member Functions
	QMForce ()

Public Attributes
int	replace

Force	force

int	homeIndx

float	charge

int	id

Detailed Description

Definition at line 101 of file ComputeQM.h.

Constructor & Destructor Documentation

◆ QMForce()

QMForce::QMForce ( )

inline

Definition at line 107 of file ComputeQM.h.

107 : replace(0), force(0), homeIndx(-1), charge(0), id(-1) {;}

QMForce::replace

int replace

Definition: ComputeQM.h:102

QMForce::id

int id

Definition: ComputeQM.h:106

QMForce::charge

float charge

Definition: ComputeQM.h:105

QMForce::force

Force force

Definition: ComputeQM.h:103

QMForce::homeIndx

int homeIndx

Definition: ComputeQM.h:104

Member Data Documentation

◆ charge

float QMForce::charge

Definition at line 105 of file ComputeQM.h.

Referenced by ComputeQMMgr::procQMRes(), ComputeQMMgr::recvPartQM(), ComputeQM::saveResults(), and ComputeQMMgr::storeQMRes().

◆ force

Force QMForce::force

Definition at line 103 of file ComputeQM.h.

Referenced by ComputeQMMgr::recvPartQM(), ComputeQM::saveResults(), and ComputeQMMgr::storeQMRes().

◆ homeIndx

int QMForce::homeIndx

Definition at line 104 of file ComputeQM.h.

Referenced by ComputeQMMgr::recvPartQM(), ComputeQMMgr::recvPntChrg(), and ComputeQM::saveResults().

◆ id

int QMForce::id

Definition at line 106 of file ComputeQM.h.

Referenced by ComputeQMMgr::recvPartQM(), and ComputeQM::saveResults().

◆ replace

int QMForce::replace

Definition at line 102 of file ComputeQM.h.