ComputeNonbondedUtil.h File Reference

#include "NamdTypes.h"
#include "ReductionMgr.h"
#include "Molecule.h"

Go to the source code of this file.

Classes
class	Pairlists
class	ComputeNonbondedWorkArrays
struct	GBISParamStruct
struct	nonbonded
class	ComputeNonbondedUtil

Macros
#define	NBWORKARRAYSINIT(ARRAYS)   ComputeNonbondedWorkArrays* const computeNonbondedWorkArrays = ARRAYS;
#define	NBWORKARRAY(TYPE, NAME, SIZE)
#define	VDW_SWITCH_MODE_ENERGY   0
#define	VDW_SWITCH_MODE_MARTINI   1
#define	VDW_SWITCH_MODE_FORCE   2

Typedefs
typedef unsigned short	plint

Macro Definition Documentation

NBWORKARRAY

#define NBWORKARRAY	(		TYPE,
			NAME,
			SIZE
	)

Value:

computeNonbondedWorkArrays->NAME.resize(SIZE); \
  TYPE * const NAME = computeNonbondedWorkArrays->NAME.begin();

Definition at line 92 of file ComputeNonbondedUtil.h.

NBWORKARRAYSINIT

#define NBWORKARRAYSINIT

(

ARRAYS

)

ComputeNonbondedWorkArrays* const computeNonbondedWorkArrays = ARRAYS;

Definition at line 83 of file ComputeNonbondedUtil.h.

VDW_SWITCH_MODE_ENERGY

#define VDW_SWITCH_MODE_ENERGY   0

Definition at line 419 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::select().

VDW_SWITCH_MODE_FORCE

#define VDW_SWITCH_MODE_FORCE   2

Definition at line 421 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::select().

VDW_SWITCH_MODE_MARTINI

#define VDW_SWITCH_MODE_MARTINI   1

Definition at line 420 of file ComputeNonbondedUtil.h.

Referenced by ComputeNonbondedUtil::select().

Typedef Documentation

plint

typedef unsigned short plint

Definition at line 20 of file ComputeNonbondedUtil.h.