QMForce Struct Reference

#include <ComputeQM.h>

List of all members.

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.

00107 : 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::calcORCA(), ComputeQMMgr::calcUSR(), ComputeQMMgr::procQMRes(), ComputeQMMgr::recvPartQM(), ComputeQM::saveResults(), and ComputeQMMgr::storeQMRes().

Force QMForce::force

Definition at line 103 of file ComputeQM.h.

Referenced by ComputeQM::saveResults().

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::procQMRes(), ComputeQMMgr::recvPartQM(), and ComputeQM::saveResults().

int QMForce::replace

Definition at line 102 of file ComputeQM.h.

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


The documentation for this struct was generated from the following file:
Generated on Wed Nov 22 01:17:22 2017 for NAMD by  doxygen 1.4.7