symbols.h

/*-------------------------------------------------------------------
Copyright 2013 Ravishankar Sundararaman

This file is part of JDFTx.

JDFTx is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.

JDFTx is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with JDFTx.  If not, see <http://www.gnu.org/licenses/>.
-------------------------------------------------------------------*/

#ifndef JDFTX_ELECTRONIC_SYMBOLS_H
#define JDFTX_ELECTRONIC_SYMBOLS_H

#include <core/Util.h>

enum class AtomicSymbol : int
{       H = 1,
        He = 2,
        Li = 3,
        Be = 4,
        B = 5,
        C = 6,
        N = 7,
        O = 8,
        F = 9,
        Ne = 10,
        Na = 11,
        Mg = 12,
        Al = 13,
        Si = 14,
        P = 15,
        S = 16,
        Cl = 17,
        Ar = 18,
        K = 19,
        Ca = 20,
        Sc = 21,
        Ti = 22,
        V = 23,
        Cr = 24,
        Mn = 25,
        Fe = 26,
        Co = 27,
        Ni = 28,
        Cu = 29,
        Zn = 30,
        Ga = 31,
        Ge = 32,
        As = 33,
        Se = 34,
        Br = 35,
        Kr = 36,
        Rb = 37,
        Sr = 38,
        Y = 39,
        Zr = 40,
        Nb = 41,
        Mo = 42,
        Tc = 43,
        Ru = 44,
        Rh = 45,
        Pd = 46,
        Ag = 47,
        Cd = 48,
        In = 49,
        Sn = 50,
        Sb = 51,
        Te = 52,
        I = 53,
        Xe = 54,
        Cs = 55,
        Ba = 56,
        La = 57,
        Ce = 58,
        Pr = 59,
        Nd = 60,
        Pm = 61,
        Sm = 62,
        Eu = 63,
        Gd = 64,
        Tb = 65,
        Dy = 66,
        Ho = 67,
        Er = 68,
        Tm = 69,
        Yb = 70,
        Lu = 71,
        Hf = 72,
        Ta = 73,
        W = 74,
        Re = 75,
        Os = 76,
        Ir = 77,
        Pt = 78,
        Au = 79,
        Hg = 80,
        Tl = 81,
        Pb = 82,
        Bi = 83,
        Po = 84,
        At = 85,
        Rn = 86,
        Fr = 87,
        Ra = 88,
        Ac = 89,
        Th = 90,
        Pa = 91,
        U = 92,
        Np = 93,
        Pu = 94,
        Am = 95,
        Cm = 96,
        Bk = 97,
        Cf = 98,
        Es = 99,
        Fm = 100,
        Md = 101,
        No = 102,
        Lr = 103,
        Rf = 104,
        Db = 105,
        Sg = 106,
        Bh = 107,
        Hs = 108,
        Mt = 109,
        Ds = 110,
        Rg = 111,
        Cn = 112,
        Uut = 113,
        Uuq = 114,
        Uup = 115,
        Uuh = 116,
        Uus = 117,
        Uuo = 118,
};

extern EnumStringMap<AtomicSymbol> atomicSymbolMap; 

double atomicMass(AtomicSymbol); 

#endif // JDFTX_ELECTRONIC_SYMBOLS_H