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Corrects bug in conversion constant
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avcopan committed Nov 1, 2023
1 parent 3d011d3 commit 3e33adf
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3 changes: 2 additions & 1 deletion TODO
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[X] _1util.py
[X] _2stereo.py
[X] _3find.py
[ ] Implement Reaction object structure addition
[X] Implement Reaction object structure addition
[ ] _4geom.py
[ ] Include zmatrix data in Reaction string
[ ] _5zmat.py
[ ] _6rot.py
[ ] _7geom.py
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2 changes: 1 addition & 1 deletion phydat/phycon.py
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RC_CAL = 1.98720425864083 # gas constant in cal/(mol.K)
RC_ATM = 82.0573660809596 # gas constant in cm^3.atm/(mol.K)
SOL = (qcc.get('speed of light in vacuum') *
qcc.conversion_factor('meter / second', 'bohr hartree / h'))
qcc.conversion_factor('meter / second', 'bohr hartree / hbar'))
SOLMS = qcc.get('speed of light in vacuum')
KB = qcc.get('kb') # The Boltzmann constant (JK$^{-1}$)
H = qcc.get('h') # The Planck constant (Js)
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