PmeBase.h

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00001 
00007 #ifndef PME_BASE_H__
00008 #define PME_BASE_H__
00009 
00010 #include <math.h>
00011 #include "MathArray.h"
00012 
00013 #ifndef M_PI
00014 #define M_PI 3.14159265358979323846
00015 #endif
00016 
00017 struct PmeGrid {
00018   int K1, K2, K3;
00019   int dim2, dim3;
00020   int order;
00021   int block1, block2, block3;
00022   int xBlocks, yBlocks, zBlocks;
00023 };
00024 
00025 struct PmeParticle {
00026   double x, y, z;
00027   double cg;
00028 };
00029 
00030 #define PME_MAX_EVALS 255 
00031 typedef MathArray<double,7> PmeReduction;
00032 
00033 #ifndef SQRT_PI
00034 #define SQRT_PI 1.7724538509055160273 /* mathematica 15 digits*/
00035 #endif
00036 
00037 #endif

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