
# phsysical constants and unit convertion

calories_to_joule = 4.184
hartree_to_ev = 27.211386245988
hartree_to_kcalmol = 627.5094740631
ev_to_kcalmol = hartree_to_kcalmol / hartree_to_ev
kcalmol_to_ev = hartree_to_ev / hartree_to_kcalmol

