QMForceMsg Class Reference

List of all members.

Public Attributes

bool PMEOn
BigReal energy
BigReal virial [3][3]
int numForces
int numLssDat
QMForceforce
LSSSubsDatlssDat

Detailed Description

Definition at line 184 of file ComputeQM.C.


Member Data Documentation

BigReal QMForceMsg::energy

Definition at line 187 of file ComputeQM.C.

Referenced by ComputeQMMgr::procQMRes().

QMForce* QMForceMsg::force

Definition at line 191 of file ComputeQM.C.

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

LSSSubsDat* QMForceMsg::lssDat

Definition at line 192 of file ComputeQM.C.

Referenced by ComputeQMMgr::procQMRes(), and ComputeQMMgr::recvForce().

int QMForceMsg::numForces

Definition at line 189 of file ComputeQM.C.

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

int QMForceMsg::numLssDat

Definition at line 190 of file ComputeQM.C.

Referenced by ComputeQMMgr::procQMRes(), and ComputeQMMgr::recvForce().

bool QMForceMsg::PMEOn

Definition at line 186 of file ComputeQM.C.

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

BigReal QMForceMsg::virial[3][3]

Definition at line 188 of file ComputeQM.C.

Referenced by ComputeQMMgr::procQMRes().


The documentation for this class was generated from the following file:
Generated on Sat Sep 23 01:17:21 2017 for NAMD by  doxygen 1.4.7