(* Constants * :PROPERTIES: * :header-args: :noweb yes :comments both * :END: * * All constants used in the program. *) (* [[file:../constants.org::*Constants][Constants:1]] *) (* Constants:1 ends here *) (* ~epsilon~ * * Value below which a float is considered null. Default is * \epsilon = 2.10^{-15}. *) (* [[file:../constants.org::*~epsilon~][~epsilon~:1]] *) val epsilon : float (* ~epsilon~:1 ends here *) (* ~integrals_cutoff~ * * Cutoff value for integrals. Default is \epsilon . *) (* [[file:../constants.org::*~integrals_cutoff~][~integrals_cutoff~:1]] *) val integrals_cutoff : float (* ~integrals_cutoff~:1 ends here *) (* Mathematical constants * * | ~pi~ | $\pi = 3.141~592~653~589~793~12$ | * | ~two_pi~ | $2 \pi$ | * | ~sq_pi~ | $\sqrt{\pi}$ | * | ~sq_pi_over_two~ | $\sqrt{\pi} / 2$ | * | ~pi_inv~ | $1 / \pi$ | * | ~two_over_sq_pi~ | $2 / \sqrt{\pi}$ | *) (* [[file:../constants.org::*Mathematical constants][Mathematical constants:1]] *) val pi : float val two_pi : float val sq_pi : float val sq_pi_over_two : float val pi_inv : float val two_over_sq_pi : float (* Mathematical constants:1 ends here *) (* Physical constants * * | ~a0~ | Bohr's radius : $a_0 = 0.529~177~210~67(23)$ angstrom | * | ~a0_inv~ | $1 / a_0$ | * | ~ha_to_ev~ | Hartree to eV conversion factor : $27.211~386~02(17)$ | * | ~ev_to_ha~ | eV to Hartree conversion factor : 1 / ~ha_to_ev~ | *) (* [[file:../constants.org::*Physical constants][Physical constants:1]] *) val a0 : float val a0_inv : float val ha_to_ev : float val ev_to_ha : float (* Physical constants:1 ends here *)