
from math import pi
hartree2kcalmol = 627.5096080306
kcalmol2hartree = 1.0/hartree2kcalmol
bohr2angstrom = 0.52917721067
angstrom2bohr = 1.0/bohr2angstrom
angstrom2nm   = 0.1

radian2degree = pi / 180.


