10
1
mirror of https://gitlab.com/scemama/QCaml.git synced 2024-11-19 04:22:21 +01:00
QCaml/Basis/F12.ml

28 lines
588 B
OCaml

(** Two electron integral functor for operators that are separable among %{ $(x,y,z)$ %}.
It is parameterized by the [zero_m] function.
*)
open Constants
let cutoff = integrals_cutoff
module T = struct
let name = "F12"
let f12_factor = F12factor.gaussian_geminal 1.0
let class_of_contracted_shell_pair_couple shell_pair_couple =
let g = f12_factor.F12factor.gaussian in
F12RR.contracted_class_shell_pair_couple
g.GaussianOperator.expo_sg_inv
g.GaussianOperator.coef_g
shell_pair_couple
end
module M = TwoElectronIntegrals.Make(T)
include M