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chem.o
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chem.o
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# Chemistry constants and setting
# scientific notation with up to 15 sig figs
# format long e
# Avogadro's number
L=6.0221417930e+23
# Planck's constant in J*s
h_j=6.6260689633e-34
# and in eV*s
h_e=4.1356673310e-15
# speed of light in m/s
c=2.99792458e+08
# ideal gas constant, L*atm/mol*k
R=0.08205746
# Rydberg constant, 1/nm
Ryd=1.097e-2
# ideal gas constant
r=0.0821
# Atomic weights
H = 1.00794
Li = 6.941
Na = 22.98976928
K = 39.0983
Be = 9.012182
Mg = 24.3050
Ca = 40.078
Sr = 87.62
Ba = 137.327
B = 10.811
Al = 26.9815386
C = 12.0107
Si = 28.0855
N = 14.0067
P = 30.973762
O = 15.9994
S = 32.065
F = 18.9984032
Cl = 35.453
Br = 79.904
I = 126.90447
He = 4.002602
Ne = 20.1797
Ar = 39.948
# metals
Ag = 107.8682
Au = 196.966569
Cu = 63.546
Fe = 55.845
Hg = 200.59
Ni = 12.0107
Pb = 207.2
Sn = 118.710
Ti = 47.867
Zn = 65.38