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QCaml/gaussian_integrals/lib/zero_m_parameters.ml
2020-09-26 16:45:52 +02:00

31 lines
540 B
OCaml

open Qcaml_common
open Qcaml_gaussian_basis
type t =
{
expo_p_inv : float ;
expo_q_inv : float ;
norm_pq_sq : float ;
maxm : int ;
center_pq : Coordinate.t ;
center_pa : Coordinate.t ;
center_qc : Coordinate.t ;
zero_m_func : t -> float array ;
basis : Basis.t ;
}
let zero basis zero_m_func =
{
zero_m_func ;
basis ;
maxm=0 ;
expo_p_inv = 0.;
expo_q_inv = 0.;
norm_pq_sq = 0.;
center_pq = Coordinate.zero ;
center_pa = Coordinate.zero ;
center_qc = Coordinate.zero ;
}