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Anthony Scemama 2018-02-09 00:42:26 +01:00
parent 730f6a9e3f
commit 58a5ec1abc
1 changed files with 28 additions and 0 deletions
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Simulation.ml Normal file
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type t = {
basis : Basis.t;
nuclei : Nuclei.t;
overlap : Overlap.t lazy_t;
eN_ints : NucInt.t lazy_t;
kin_ints : KinInt.t lazy_t;
ee_ints : ERI.t lazy_t;
}
let make ~nuclei ~basis =
{
basis ; nuclei ;
overlap = lazy (Overlap.of_basis basis);
eN_ints = lazy (NucInt.of_basis_nuclei basis nuclei);
kin_ints = lazy (KinInt.of_basis basis);
ee_ints = lazy (ERI.of_basis basis);
}
let of_filenames ~basis ~nuclei =
let nuclei =
Nuclei.of_filename ~filename:nuclei
in
let basis =
Basis.of_nuclei_and_basis_filename ~nuclei ~filename:basis
in
make ~nuclei ~basis