NAMD
Macros | Functions
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.

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)
 

Macro Definition 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)    (((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().

39 {
40  if ( lattice->a_p() || lattice->b_p() || lattice->c_p() ) {
41  #define FULLDIRECT_PERIODIC
42  #include "ComputeFullDirectBase.h"
43  } else {
44  #undef FULLDIRECT_PERIODIC
45  #include "ComputeFullDirectBase.h"
46  }
47 }
int b_p() const
Definition: Lattice.h:274
int a_p() const
Definition: Lattice.h:273
int c_p() const
Definition: Lattice.h:275