QMGrpResMsg Class Reference

List of all members.

Public Attributes

int grpIndx
BigReal energyOrig
BigReal energyCorr
BigReal virial [3][3]
int numForces
QMForceforce

Detailed Description

Definition at line 174 of file ComputeQM.C.


Member Data Documentation


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

Generated on 4 Jun 2020 for NAMD by  doxygen 1.6.1