MDX: force/intdefn.h Source File

00001 /*
00002  * Copyright (C) 2004-2006 by David J. Hardy.  All rights reserved.
00003  */
00004 
00011 #ifndef INTDEFN_H
00012 #define INTDEFN_H
00013 
00014 #include <stdio.h>
00015 #include <stdlib.h>
00016 #include "force/force.h"
00017 
00018 #define DEBUG_PAIRLISTS
00019 #undef DEBUG_PAIRLISTS
00020 
00021 #define DEBUG_GRIDCELLS
00022 #undef DEBUG_GRIDCELLS
00023 
00024 #define DEBUG_VDWPARAMS
00025 #undef DEBUG_VDWPARAMS
00026 
00027 #define ERROR(msg)  \
00028   fprintf(stderr, "FORCE ERROR:  file %s, line %d:  %s\n", \
00029       __FILE__, __LINE__, msg);
00030 
00031 /* make sure cell basis vectors aren't (nearly) linearly independent */
00032 #define TOL_CELL_BASIS  0.01
00033 
00034 /*
00035  * how far apart should domain walls be as multiple of max distance?
00036  * (for nonperiodic boundary conditions)
00037  */
00038 #define DOMAIN_LEN_FRAC  0.9
00039 
00040 /*
00041  * how often should nonperiodic domain be re-centered?
00042  */
00043 #define MAX_STEPS  10
00044 
00045 #define OFFSET_INDEX(i,j,k)  ((((k)*3 + (j))*3 + (i)) + 13)
00046 
00047 #if defined(DEBUG_PAIRLISTS) || defined(DEBUG_GRIDCELLS)
00048 #undef MIN
00049 #define MIN(a,b)  ( (a) < (b) ? (a) : (b) )
00050 #undef MAX
00051 #define MAX(a,b)  ( (a) > (b) ? (a) : (b) )
00052 #endif
00053 
00054 
00055 #endif /* INTDEFN_H */