atomic_data.hpp File Reference

Basic atomic data information. More...

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Classes
struct	atomic_level_descriptor
	Describes single atomic level. More...

Variables
const std::vector< std::string >	atomic_symb
const std::vector< std::string >	atomic_name
const std::map< std::string, int >	atomic_zn
const std::vector< std::vector< atomic_level_descriptor > >	atomic_conf
const std::vector< double >	atomic_energy_NIST_LDA

Detailed Description

Basic atomic data information.

Definition in file atomic_data.hpp.

Variable Documentation

atomic_symb

const std::vector<std::string> atomic_symb

Initial value:

= {
    "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", "Fr", "Ra", "Ac", "Th", "Pa", "U", "Np", "Pu", "Am", "Cm", "Bk", "Cf", "Es", "Fm", "Md", "No", "Lr", "Rf"
}

Definition at line 32 of file atomic_data.hpp.

atomic_name

const std::vector<std::string> atomic_name

Initial value:

= {
    "hydrogen", "helium", "lithium", "beryllium", "boron", "carbon", "nitrogen", "oxygen", "fluorine", "neon", "sodium", "magnesium", "aluminium", "silicon", "phosphorus", "sulphur", "chlorine", "argon", "potassium", "calcium", "scandium", "titanium", "vanadium", "chromium", "manganese", "iron", "cobalt", "nickel", "copper", "zinc", "gallium", "germanium", "arsenic", "selenium", "bromine", "krypton", "rubidium", "strontium", "yttrium", "zirconium", "niobium", "molybdenum", "technetium", "ruthenium", "rhodium", "palladium", "silver", "cadmium", "indium", "tin", "antimony", "tellurium", "iodine", "xenon", "cesium", "barium", "lanthanum", "cerium", "praseodymium", "neodymium", "promethium", "samarium", "europium", "gadolinium", "terbium", "dysprosium", "holmium", "erbium", "thulium", "ytterbium", "lutetium", "hafnium", "tantalum", "tungsten", "rhenium", "osmium", "iridium", "platinum", "gold", "mercury", "thallium", "lead", "bismuth", "polonium", "astatine", "radon", "francium", "radium", "actinium", "thorium", "protactinium", "uranium", "neptunium", "plutonium", "americium", "curium", "berkelium", "californium", "einsteinium", "fermium", "mendelevium", "nobelium", "lawrencium", "rutherfordium"
}

Definition at line 36 of file atomic_data.hpp.

atomic_zn

const std::map<std::string, int> atomic_zn

Initial value:

= {
    {"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}
}

Definition at line 40 of file atomic_data.hpp.

atomic_conf

const std::vector<std::vector<atomic_level_descriptor> > atomic_conf

Definition at line 44 of file atomic_data.hpp.

atomic_energy_NIST_LDA

const std::vector<double> atomic_energy_NIST_LDA

Initial value:

= {
      -0.4456710,   -2.8348360,   -7.3351950,  -14.4472090,  -24.3441980,  -37.4257490,  -54.0250160,  -74.4730770,  -99.0996480, -128.2334810, -161.4400600, -199.1394060, -241.3155730, -288.1983970, -339.9462190, -396.7160810, -458.6641790, -525.9461950, -598.2005900, -675.7422830, -758.6792750, -847.2772160, -941.6789040, -1042.0302380, -1148.4493720, -1261.0930560, -1380.0912640, -1505.5801970, -1637.7858610, -1776.5738500, -1921.8464560, -2073.8073320, -2232.5349780, -2398.1114400, -2570.6207000, -2750.1479400, -2936.3372930, -3129.4531610, -3329.5206040, -3536.7377510, -3751.1961750, -3973.0132350, -4202.1888570, -4438.9812280, -4683.3010310, -4935.3684060, -5195.0312150, -5462.3909820, -5737.3090640, -6019.9533530, -6310.3762680, -6608.6314130, -6914.7730920, -7228.8561070, -7550.5577100, -7880.1115780, -8217.5752300, -8563.3602850, -8917.6643690, -9280.3110370, -9651.4841340, -10031.2590900, -10419.7107750, -10816.6538770, -11222.9419750, -11637.8696640, -12061.7705490, -12494.7183040, -12936.7864940, -13388.0485940, -13848.2303750, -14317.4937200, -14795.8842020, -15283.4488220, -15780.2360240, -16286.2954080, -16801.6774710, -17326.5763770, -17860.7909430, -18404.2742200, -18956.9576270, -19518.9931450, -20090.4144490, -20671.2565390, -21261.5552150, -21861.3468690, -22470.3196550, -23088.6880830, -23716.4969520, -24353.8322310, -25001.2913820, -25658.4178890,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000,    0.0000000
}

Definition at line 1952 of file atomic_data.hpp.