atom_rads.h

// Define atoms names from the Mendeleev's Table
#define at_namc 103
const char at_nam[at_namc][4] = {
"H ",                                                                                "He",
"Li", "Be",                                                 "B ","C ","N ","O ","F ","Ne",
"Na", "Mg",                                                 "Al","Si","P ","S ","Cl","Ar",
"K ","Ca","Sc","Ti","V ","Cr","Mn","Fe","Co","Ni","Cu","Zn","Ga","Ge","As","Se","Br","Kr",
"Rb","Sr","Y ","Zr","Nb","Mo","Tc","Ru","Rh","Pd","Ag","Cd","In","Sn","Sb","Te","I ","Xe",
"Cs","Ba","La",
          "Ce","Pr","Nd","Pm","Sm","Eu","Gd","Tb","Dy","Ho","Er","Tm","Yb","Lu",
               "Hf","Ta","W ","Re","Os","Ir","Pt","Au","Hg","Tl","Pb","Bi","Po","At","Rn",
               "  ","  ","  ","  ","  ","  ","  ","  ","  ","  ","  ","  ",
"Bd","Ri","Cg","Nn","Lp"  
};

// Atomic radii for ball-and-stick model
const float at_rad[at_namc] = {
0.43f,                                                                                0.74f,
0.88f,0.55f,                                                  1.03f,0.90f,0.88f,0.88f,0.84f,0.83f,
1.17f,1.30f,                                                  1.55f,1.40f,1.25f,1.22f,1.19f,1.00f,
1.53f,1.19f,1.64f,1.67f,1.53f,1.55f,1.55f,1.54f,1.53f,1.70f,1.72f,1.65f,1.42f,1.37f,1.41f,1.42f,1.41f,1.07f, 
1.67f,1.32f,1.98f,1.76f,1.68f,1.67f,1.55f,1.60f,1.65f,1.70f,1.79f,1.89f,1.83f,1.66f,1.66f,1.67f,1.60f,1.75f,
1.87f,1.54f,2.07f,2.03f,2.02f,2.01f,2.00f,2.00f,2.19f,1.99f,1.96f,1.95f,1.94f,1.93f,1.92f,2.14f,1.92f,1.77f,1.63f,1.57f,1.55f,1.57f,1.52f,1.70f,1.70f,1.90f,1.75f,1.74f,1.74f,1.88f,0.20f,0.20f,
0.20f,2.10f,2.08f,1.99f,1.81f,1.78f,1.75f,0.20f,1.71f,0.20f,0.20f,1.73f,
0.20f,0.20f,0.20f,0.20f,0.20f };

// van der Waals radii from 
// A. Bondi (1964) "van der Waals Volumes and Radii", J.Phys.Chem., 68, 441-451.
const float at_radv[at_namc]= {
1.20f,                                                                                1.40f,
1.82f,2.10f,                                                  1.90f,1.70f,1.55f,1.52f,1.47f,1.54f,
2.27f,1.73f,                                                  2.30f,2.10f,1.80f,1.80f,1.75f,1.88f,
2.75f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,1.63f,1.40f,1.39f,1.87f,2.00f,1.85f,1.90f,1.85f,2.02f,
2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,1.63f,1.72f,1.58f,1.93f,2.17f,2.00f,2.06f,1.98f,2.16f,
2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,1.72f,
2.15f,1.55f,1.96f,2.02f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,2.00f,
0.20f,0.20f,0.20f,0.20f,0.20f };