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

Referenced by calc_fulldirect().

#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 
)

Definition at line 36 of file ComputeFullDirect.C.

References Lattice::a_p(), Lattice::b_p(), Lattice::c_p(), and FULLDIRECT_PERIODIC.

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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