let bohr_to_angstrom { Bohr.x ; y ; z } = let b_to_a b = Constants.a0 *. b in Angstrom.make { Point. x = b_to_a x ; y = b_to_a y ; z = b_to_a z ; } let angstrom_to_bohr { Angstrom.x ; y ; z } = let a_to_b a = Constants.a0_inv *. a in Bohr.make { Point. x = a_to_b x ; y = a_to_b y ; z = a_to_b z ; }