ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
Variables
src.PT Namespace Reference

Variables

dictionary PeriodicTable
 
list Elements
 

Variable Documentation

◆ Elements

list src.PT.Elements
Initial value:
1 = ["None",'H','He',
2  'Li','Be','B','C','N','O','F','Ne',
3  'Na','Mg','Al','Si','P','S','Cl','Ar',
4  'K','Ca','Sc','Ti','V','Cr','Mn','Fe','Co','Ni','Cu','Zn','Ga','Ge','As','Se','Br','Kr',
5  'Rb','Sr','Y','Zr','Nb','Mo','Tc','Ru','Rh','Pd','Ag','Cd','In','Sn','Sb','Te','I','Xe',
6  'Cs','Ba','La','Ce','Pr','Nd','Pm','Sm','Eu','Gd','Tb','Dy','Ho','Er','Tm','Yb',
7  'Lu','Hf','Ta','W','Re','Os','Ir','Pt','Au','Hg','Tl','Pb','Bi','Po','At','Rn',
8  'Fr','Ra','Ac','Th','Pa','U','Np','Pu','Am','Cm','Bk','Cf','Es','Fm','Md','No','Lr','Rf','Db','Sg','Bh','Hs','Mt']

Definition at line 18 of file PT.py.

◆ PeriodicTable

dictionary src.PT.PeriodicTable
Initial value:
1 = {'H' : 1.0079, 'He' : 4.0026,
2  'Li' : 6.941, 'Be' : 9.0122, 'B' : 10.811, 'C' : 12.0107, 'N' : 14.0067, 'O' : 15.9994, 'F' : 18.9984, 'Ne' : 20.1797,
3  'Na' : 22.9897, 'Mg' : 24.305, 'Al' : 26.9815, 'Si' : 28.0855, 'P' : 30.9738, 'S' : 32.065, 'Cl' : 35.453, 'Ar' : 39.948,
4  'K' : 39.0983, 'Ca' : 40.078, 'Sc' : 44.9559, 'Ti' : 47.867, 'V' : 50.9415, 'Cr' : 51.9961, 'Mn' : 54.938, 'Fe' : 55.845, 'Co' : 58.9332,
5  'Ni' : 58.6934, 'Cu' : 63.546, 'Zn' : 65.39, 'Ga' : 69.723, 'Ge' : 72.64, 'As' : 74.9216, 'Se' : 78.96, 'Br' : 79.904, 'Kr' : 83.8,
6  'Rb' : 85.4678, 'Sr' : 87.62, 'Y' : 88.9059, 'Zr' : 91.224, 'Nb' : 92.9064, 'Mo' : 95.94, 'Tc' : 98, 'Ru' : 101.07, 'Rh' : 102.9055,
7  'Pd' : 106.42, 'Ag' : 107.8682, 'Cd' : 112.411, 'In' : 114.818, 'Sn' : 118.71, 'Sb' : 121.76, 'Te' : 127.6, 'I' : 126.9045, 'Xe' : 131.293,
8  'Cs' : 132.9055, 'Ba' : 137.327, 'La' : 138.9055, 'Ce' : 140.116, 'Pr' : 140.9077, 'Nd' : 144.24, 'Pm' : 145, 'Sm' : 150.36,
9  'Eu' : 151.964, 'Gd' : 157.25, 'Tb' : 158.9253, 'Dy' : 162.5, 'Ho' : 164.9303, 'Er' : 167.259, 'Tm' : 168.9342, 'Yb' : 173.04,
10  'Lu' : 174.967, 'Hf' : 178.49, 'Ta' : 180.9479, 'W' : 183.84, 'Re' : 186.207, 'Os' : 190.23, 'Ir' : 192.217, 'Pt' : 195.078,
11  'Au' : 196.9665, 'Hg' : 200.59, 'Tl' : 204.3833, 'Pb' : 207.2, 'Bi' : 208.9804, 'Po' : 209, 'At' : 210, 'Rn' : 222,
12  'Fr' : 223, 'Ra' : 226, 'Ac' : 227, 'Th' : 232.0381, 'Pa' : 231.0359, 'U' : 238.0289, 'Np' : 237, 'Pu' : 244,
13  'Am' : 243, 'Cm' : 247, 'Bk' : 247, 'Cf' : 251, 'Es' : 252, 'Fm' : 257, 'Md' : 258, 'No' : 259,
14  'Lr' : 262, 'Rf' : 261, 'Db' : 262, 'Sg' : 266, 'Bh' : 264, 'Hs' : 277, 'Mt' : 268}

Definition at line 3 of file PT.py.