JDFTx  1.7.0
symbols.h File Reference
#include <core/Util.h>

Enumerations

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
}
 Atomic symbol to atomic number.
 

Functions

double atomicMass (AtomicSymbol)
 retrieve atomic mass for each element
 

Variables

EnumStringMap< AtomicSymbolatomicSymbolMap
 Relate chemical symbols and atomic numbers.
 

Detailed Description

Maps between chemical symbols, atomic numbers and masses