// ############################## START FUNC ############################################ // covalent_radii_matrix[1][1]=hydrogen, (single bond) // covalent_radii_matrix[8][1]=oxygen, single bond function set_radii_matrix(radii_factor) { var n=0; var m=0; // This creates a matrix // All values are initially set to 0 to prevent errors later var covalent_radii_matrix = def_matrix(100,4,0,0); // Now the values can be set in one way or another. // H covalent_radii_matrix[1][1]=0.37; // C covalent_radii_matrix[6][1]=0.77; covalent_radii_matrix[6][2]=0.67; covalent_radii_matrix[6][3]=0.60; // Si covalent_radii_matrix[14][1]=1.18; // Ge covalent_radii_matrix[32][1]=1.22; // N covalent_radii_matrix[7][1]=0.74; covalent_radii_matrix[7][2]=0.65; // P covalent_radii_matrix[15][1]=1.10; // As covalent_radii_matrix[33][1]=1.21; // Sb covalent_radii_matrix[51][1]=1.41; // O covalent_radii_matrix[8][1]=0.66; covalent_radii_matrix[8][2]=0.57; // S covalent_radii_matrix[16][1]=1.04; covalent_radii_matrix[16][1]=0.95; // Se covalent_radii_matrix[34][1]=1.04; // Te covalent_radii_matrix[52][1]=1.37; // F covalent_radii_matrix[9][1]=0.64; // Cl covalent_radii_matrix[17][1]=0.99; // Br covalent_radii_matrix[35][1]=1.14; // I covalent_radii_matrix[53][1]=1.33; // Every covalent radii must be multiplicated with the radii_factor to ensure that // no bonds are missed. covalent_radii_matrix[1][1]=hydrogen, (single bond) // covalent_radii_matrix[8][1]=oxygen, single bond // Note that covalent_radii_matrix.length = the length in the main dimension // ************ START LOOP (n) BELOW ********************* for(n=1;n