20 #ifndef LIBINT2_CHEMISTRY_ELEMENTS_H 21 #define LIBINT2_CHEMISTRY_ELEMENTS_H 35 static std::vector<element> element_info
36 {{1,
"hydrogen",
"H"},
39 {4,
"beryllium",
"Be"},
47 {12,
"magnesium",
"Mg"},
48 {13,
"aluminum",
"Al"},
49 {14,
"silicon",
"Si"},
50 {15,
"phosphorus" ,
"P"},
52 {17,
"chlorine",
"Cl"},
54 {19,
"potassium",
"K"},
55 {20,
"calcium",
"Ca"},
56 {21,
"scandium",
"Sc"},
57 {22,
"titanium",
"Ti"},
58 {23,
"vanadium",
"V"},
59 {24,
"chromium",
"Cr"},
60 {25,
"manganese",
"Mn"},
66 {31,
"gallium",
"Ga"},
67 {32,
"germanium",
"Ge"},
68 {33,
"arsenic",
"As"},
69 {34,
"selenium",
"Se"},
70 {35,
"bromine",
"Br"},
71 {36,
"krypton",
"Kr"},
72 {37,
"rubidium",
"Rb"},
73 {38,
"strontium",
"Sr"},
75 {40,
"zirconium",
"Zr"},
76 {41,
"niobium",
"Nb"},
77 {42,
"molybdenum",
"Mo"},
78 {43,
"technetium",
"Tc"},
79 {44,
"ruthenium",
"Ru"},
80 {45,
"rhodium",
"Rh"},
81 {46,
"palladium",
"Pd"},
83 {48,
"cadminium",
"Cd"},
86 {51,
"antimony",
"Sb"},
87 {52,
"tellurium",
"Te"},
92 {57,
"lanthanium",
"La"},
94 {59,
"praseodymium",
"Pr"},
95 {60,
"neodymium",
"Nd"},
96 {61,
"promethium",
"Pm"},
97 {62,
"samarium",
"Sm"},
98 {63,
"europium",
"Eu"},
99 {64,
"gadolinium",
"Gd"},
100 {65,
"terbium",
"Tb"},
101 {66,
"dysprosium",
"Dy"},
102 {67,
"holmium",
"Ho"},
103 {68,
"erbium",
"Er"},
104 {69,
"thulium",
"Tm"},
105 {70,
"ytterbium",
"Yb"},
106 {71,
"lutetium",
"Lu"},
107 {72,
"hafnium",
"Hf"},
108 {73,
"tantalum",
"Ta"},
109 {74,
"tungsten",
"W"},
110 {75,
"rhenium",
"Re"},
111 {76,
"osmium",
"Os"},
112 {77,
"iridium",
"Ir"},
113 {78,
"platinum",
"Pt"},
115 {80,
"mercury",
"Hg"},
116 {81,
"thallium",
"Tl"},
118 {83,
"bismuth",
"Bi"},
119 {84,
"polonium",
"Po"},
120 {85,
"astatine",
"At"},
122 {87,
"francium",
"Fr"},
123 {88,
"radium",
"Ra"},
124 {89,
"actinium",
"Ac"},
125 {90,
"thorium",
"Th"},
126 {91,
"protactinium",
"Pa"},
127 {92,
"uranium",
"U"},
128 {93,
"neptunium",
"Np"},
129 {94,
"plutonium",
"Pu"},
130 {95,
"americium",
"Am"},
131 {96,
"curium",
"Cm"},
132 {97,
"berkelium",
"Bk"},
133 {98,
"californium",
"Cf"},
134 {99,
"einsteinum",
"Es"},
135 {100,
"fermium",
"Fm"},
136 {101,
"mendelevium",
"Md"},
137 {102,
"nobelium",
"No"},
138 {103,
"lawrencium",
"Lr"},
139 {104,
"rutherfordium",
"Rf"},
140 {105,
"hahnium",
"Ha"},
141 {106,
"seaborgium",
"Sg"},
142 {107,
"bohrium",
"Bh"},
143 {108,
"hassium",
"Hs"},
144 {109,
"meitnerium",
"Mt"},
145 {110,
"darmstadtium",
"Ds"},
146 {111,
"roentgenium",
"Rg"},
147 {112,
"ununbium",
"Uub"},
148 {113,
"ununtrium",
"Uut"},
149 {114,
"ununquadium",
"Uuq"},
150 {115,
"ununpentium",
"Uup"},
151 {116,
"ununhexium",
"Uuh"},
152 {117,
"ununseptium",
"Uus"},
153 {118,
"ununoctium",
"Uuo"}
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:23
Definition: elements.h:29