NAMD
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#include "InfoStream.h"
#include "Node.h"
#include "PatchMap.h"
#include "PatchMap.inl"
#include "AtomMap.h"
#include "ComputeFullDirect.h"
#include "ComputeNonbondedUtil.h"
#include "PatchMgr.h"
#include "Molecule.h"
#include "ReductionMgr.h"
#include "Communicate.h"
#include "Lattice.h"
#include "Debug.h"
#include "SimParameters.h"
#include "ComputeFullDirectBase.h"
Go to the source code of this file.
Macros | |
#define | MIN_DEBUG_LEVEL 3 |
#define | FULLDIRECT_PERIODIC |
#define | PEMOD(N) (((N)+numWorkingPes)%numWorkingPes) |
Functions | |
BigReal | calc_fulldirect (BigReal *data1, BigReal *results1, int n1, BigReal *data2, BigReal *results2, int n2, int selfmode, Lattice *lattice, Tensor &virial) |
#define FULLDIRECT_PERIODIC |
#define MIN_DEBUG_LEVEL 3 |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 20 of file ComputeFullDirect.C.
#define PEMOD | ( | N | ) | (((N)+numWorkingPes)%numWorkingPes) |
Referenced by ComputeFullDirect::doWork().
BigReal calc_fulldirect | ( | BigReal * | data1, |
BigReal * | results1, | ||
int | n1, | ||
BigReal * | data2, | ||
BigReal * | results2, | ||
int | n2, | ||
int | selfmode, | ||
Lattice * | lattice, | ||
Tensor & | virial | ||
) |
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.
Definition at line 36 of file ComputeFullDirect.C.
References Lattice::a_p(), Lattice::b_p(), and Lattice::c_p().
Referenced by ComputeFullDirect::doWork().