phycon additions

avcopan · Sep 2, 2021 · fe44d5f · fe44d5f
1 parent 8d92eb4
commit fe44d5f
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/phydat/phycon.py b/phydat/phycon.py
@@ -14,13 +14,18 @@
 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'))
+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)
+HBAR = qcc.get('hbar') # The Planck constant (Js) over 2pi
 
 # Energy Conversion factors
 KCAL2CAL = qcc.conversion_factor('kcal/mol', 'cal/mol')
 J2CAL = qcc.conversion_factor('J/mol', 'cal/mol')
 KJ2CAL = qcc.conversion_factor('kJ/mol', 'cal/mol')
 KJ2KCAL = qcc.conversion_factor('kJ/mol', 'kcal/mol')
 KJ2EH = qcc.conversion_factor('kJ/mol', 'hartree')
+EH2KJ = qcc.conversion_factor('hartree', 'kJ/mol')
 K2EH = qcc.conversion_factor('kelvin', 'hartree')
 KEL2CAL = qcc.conversion_factor('kelvin', 'cal/mol')
 WAVEN2KCAL = qcc.conversion_factor('wavenumber', 'kcal/mol')