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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 20:33:36 +01:00
QCaml/ci/test/excitation.ml
2024-06-24 14:28:30 +02:00

53 lines
1.8 KiB
OCaml

open Common
open Ci
let tests =
(*
let test_id () =
let l_a = [ 1 ; 2 ; 3 ; 5 ; 64 ]
and l_b = [ 2 ; 3 ; 5 ; 65 ] in
let det1 = Determinant.of_lists l_a l_b in
let det2 = Determinant.negate_phase det1 in
in
*)
let test_single () =
let l_a = [ 1 ; 2 ; 3 ; 5 ; 64 ]
and l_b = [ 2 ; 3 ; 5 ; 65 ] in
let det1 = Determinant.of_lists 66 l_a l_b in
let det2 = Determinant.single_excitation Spin.Alfa 3 7 det1 in
let t = Excitation.single_of_det det1 det2 in
Alcotest.(check bool) "single 1" true (t = Single (Phase.Pos, { hole=3 ; particle=7 ; spin=Spin.Alfa}) );
let det2 =
Determinant.single_excitation Spin.Alfa 2 7 det1
|> Determinant.negate_phase
in
let t = Excitation.single_of_det det1 det2 in
Alcotest.(check bool) "single 2" true (t = Single (Phase.Neg, { hole=2 ; particle=7 ; spin=Spin.Alfa }) );
let det2 = Determinant.single_excitation Spin.Beta 2 7 det1 in
let t = Excitation.single_of_det det1 det2 in
Alcotest.(check bool) "single 3" true (t = Single (Phase.Pos, { hole=2 ; particle=7 ; spin=Spin.Beta}) );
let det2 = Determinant.single_excitation Spin.Beta 3 256 det1 in
let t = Excitation.single_of_det det1 det2 in
Alcotest.(check bool) "single 4" true (t = Single (Phase.Pos, { hole=3 ; particle=256 ; spin=Spin.Beta}) );
in
let test_double () =
let l_a = [ 1 ; 2 ; 3 ; 5 ; 64 ]
and l_b = [ 2 ; 3 ; 5 ; 65 ] in
let det1 = Determinant.of_lists 66 l_a l_b in
let det2 = Determinant.double_excitation Spin.Alfa 3 7 Spin.Alfa 2 6 det1 in
let t = Excitation.double_of_det det1 det2 in
Alcotest.(check bool) "double 1" true
(t = Double (Phase.Neg,
{ hole=2 ; particle=7 ; spin=Spin.Alfa},
{ hole=3 ; particle=6 ; spin=Spin.Alfa}));
in
[
"Single", `Quick, test_single;
"Double", `Quick, test_double;
]