ComputeFullDirect.C File Reference

#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.

Defines

#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 Documentation

#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)+numWorkingPes)%numWorkingPes)

Function Documentation

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().

00039 {
00040   if ( lattice->a_p() || lattice->b_p() || lattice->c_p() ) {
00041     #define FULLDIRECT_PERIODIC
00042     #include "ComputeFullDirectBase.h"
00043   } else {
00044     #undef FULLDIRECT_PERIODIC
00045     #include "ComputeFullDirectBase.h"
00046   }
00047 }


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