#include #include /* compute the length for one dimension*/ int length(int N, int i, double* scf, double* ap, double D, int Nvari, int cores) { int maxfactor(int n, int cores); double temp1, temp2; int n, j, k, nmax; int nlimit = 13; if (N == 1) { n = 1; } else { for (k = 0; k < Nvari; k++) { temp1 = fabs(ap[9 * k + i]) * scf[3 * k] * scf[3 * k]; for (j = 1; j < 3; j++) { temp2 = fabs(ap[9 * k + 3 * j + i]) * scf[3 * k + j] * scf[3 * k + j]; if (temp2 > temp1) temp1 = temp2; } } temp1 = sqrt(temp1); temp1 /= (double)D; if ((double)N / temp1 < 2.) { n = N + (int)(2 * temp1); } else { n = N + (int)temp1; } if ((n % 2) != 0) n = n + 1; nmax = maxfactor(n, cores); while (nmax > nlimit) { n += 2; nmax = maxfactor(n, cores); } } return n; }