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QCaml/common/lib/constants.mli
2024-01-17 10:30:24 +01:00

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873 B
OCaml

(* Thresholds *)
val epsilon : float
(** Value below which a float is considered null. Default is \epsilon = 2.10^{-15}. *)
val integrals_cutoff : float
(** Cutoff value for integrals. Default is \epsilon. *)
(** Mathematical constants *)
val pi : float
(** $\pi = 3.141~592~653~589~793~12$ *)
val two_pi : float
(** $2 \pi$ *)
val sq_pi : float
(** $\sqrt{\pi}$ *)
val sq_pi_over_two : float
(** $\sqrt{\pi} / 2$ *)
val pi_inv : float
(** $1 / \pi$ *)
val two_over_sq_pi : float
(** $2 / \sqrt{\pi}$ *)
(** Physical constants *)
val a0 : float
(** Bohr's radius : $a_0 = 0.529~177~210~67(23)$ angstrom. *)
val a0_inv : float
(** $1 / a_0$ *)
val ha_to_ev : float
(** Hartree to eV conversion factor : $27.211~386~02(17)$ *)
val ev_to_ha : float
(** eV to Hartree conversion factor : 1 / ~ha_to_ev~ *)