GoMolecule.C File Reference

#include <stdio.h>
#include <string.h>
#include <stdlib.h>
#include <ctype.h>
#include "ResizeArray.h"
#include "InfoStream.h"
#include "Molecule.h"
#include "strlib.h"
#include "MStream.h"
#include "Communicate.h"
#include "Node.h"
#include "ObjectArena.h"
#include "Parameters.h"
#include "PDB.h"
#include "SimParameters.h"
#include "Hydrogen.h"
#include "UniqueSetIter.h"
#include "ConfigList.h"
#include "charm++.h"
#include "ComputeGridForce.h"
#include "GridForceGrid.h"
#include "MGridforceParams.h"
#include "Debug.h"
#include "CompressPsf.h"
#include "ParallelIOMgr.h"
#include <deque>
#include <algorithm>

Go to the source code of this file.

Macros
#define	MIN_DEBUG_LEVEL   3
#define	M_PI   3.14159265358979323846
#define	CODE_REDUNDANT   0

Macro Definition Documentation

CODE_REDUNDANT

#define CODE_REDUNDANT   0

Definition at line 43 of file GoMolecule.C.

M_PI

#define M_PI   3.14159265358979323846

Definition at line 40 of file GoMolecule.C.

Referenced by LjPmeKSpace::compute_energy(), PmeKSpace::compute_energy(), PmeKSpace::compute_energy_LJPME(), PmeKSpace::compute_energy_orthogonal_helper(), dftmod(), init_exp(), and ComputeEwald::recvResults().

MIN_DEBUG_LEVEL

#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 32 of file GoMolecule.C.