FullAtom Struct Reference

#include <NamdTypes.h>

Inheritance diagram for FullAtom:
CompAtom CompAtomExt InputAtom

List of all members.

Public Attributes

Velocity velocity
Position fixedPosition
double recipMass
Mass mass
union {
   Real   langevinParam
}; 
int32 status
Transform transform
int migrationGroupSize
Real rigidBondLength

Detailed Description

Definition at line 100 of file NamdTypes.h.


Member Data Documentation

union { ... }

The reciprocal mass is set to 1/mass or to 0 for massless particles. Calculating this apriori allows us to remove the divide instruction from the integration loops and the Langevin velocity updates.

Definition at line 104 of file NamdTypes.h.

Referenced by WorkDistrib::createAtomLists().

Definition at line 115 of file NamdTypes.h.

Referenced by WorkDistrib::createAtomLists().


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

Generated on 16 Jan 2019 for NAMD by  doxygen 1.6.1