1 2 #ifndef __DALTON_CONSTS__ 3 #define __DALTON_CONSTS__ 4 5 //DALTON PARAMETERS 6 //static const int MXSHEL = 750; 7 static const int MXSHEL = 1000; 8 static const int MXPRIM = 8000; 9 static const int MXCONT = 35; 10 //static const int MXPOINTS = 65536; 11 12 static const int maxJ = 36; // according to DALTON 13 14 15 // two extra restrictions in this code which are likely to hold true in any realistic calculation 16 static const int LMAX = 5; 17 static const int maxK = 32; 18 19 20 //OTHER CONSTANTS 21 static const int nmS[] = {1,3,5,7,9,11, 4}; 22 static const int nmC[] = {1,3,6,10,15,21, 4}; 23 24 static const double PI = 3.1415926535897932384626433832; 25 static const int CACHE_LINE_SIZE = 64; 26 27 static const int MMAX = (LMAX+1)*(LMAX+2)/2; //(h+1)*; 28 static const int LSP = LMAX + 1; //code for SP GTOs 29 30 static const int DOUBLES_PER_CACHE_LINE = 8; 31 32 typedef long int lint; 33 34 #endif 35