mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-18 20:13:07 +01:00
120 lines
3.0 KiB
Python
120 lines
3.0 KiB
Python
name_to_elec = {"X": 0,
|
|
"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,
|
|
"Fl": 114,
|
|
"Uup": 115,
|
|
"Lv": 116,
|
|
"Uus": 117,
|
|
"Uuo": 118}
|