Public Member Functions | Public Attributes | List of all members
InputAtom Struct Reference

#include <NamdTypes.h>

Inheritance diagram for InputAtom:
FullAtom CompAtom CompAtomExt

Public Member Functions

int operator< (const InputAtom &a) const

Public Attributes

bool isValid
short isGP
short isMP
int hydList
int GPID
int MPID
- Public Attributes inherited from FullAtom
Velocity velocity
Position fixedPosition
double recipMass
Mass mass
union {
   Real   langevinParam
int32 status
Transform transform
int migrationGroupSize
Real rigidBondLength
- Public Attributes inherited from CompAtom
Position position
Charge charge
short vdwType
unsigned char partition
unsigned int nonbondedGroupSize: 3
unsigned int hydrogenGroupSize: 4
unsigned int isWater: 1
- Public Attributes inherited from CompAtomExt
int sortOrder
int id: 30
unsigned int atomFixed: 1
unsigned int groupFixed: 1

Detailed Description

Definition at line 140 of file NamdTypes.h.

Member Function Documentation

int InputAtom::operator< ( const InputAtom a) const

Definition at line 148 of file NamdTypes.h.

References hydList.

148  {
149  return hydList < a.hydList;
150  }
int hydList
Definition: NamdTypes.h:144

Member Data Documentation

int InputAtom::GPID

Definition at line 145 of file NamdTypes.h.

int InputAtom::hydList

Definition at line 144 of file NamdTypes.h.

Referenced by operator<().

short InputAtom::isGP

Definition at line 142 of file NamdTypes.h.

Referenced by ParallelIOMgr::integrateMigratedAtoms().

short InputAtom::isMP

Definition at line 143 of file NamdTypes.h.

Referenced by ParallelIOMgr::calcAtomsInEachPatch().

bool InputAtom::isValid
int InputAtom::MPID

Definition at line 146 of file NamdTypes.h.

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