QMForce Struct Reference

#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 ( )

inline

Definition at line 107 of file ComputeQM.h.

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

Member Data Documentation

float QMForce::charge

Definition at line 105 of file ComputeQM.h.

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

Force QMForce::force

Definition at line 103 of file ComputeQM.h.

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

int QMForce::homeIndx

Definition at line 104 of file ComputeQM.h.

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

int QMForce::id

Definition at line 106 of file ComputeQM.h.

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

int QMForce::replace

Definition at line 102 of file ComputeQM.h.

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

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

• ComputeQM.h