QCaml/common/lib/constants.mli

(* 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 *)