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https://gitlab.com/scemama/QCaml.git
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112 lines
3.8 KiB
OCaml
112 lines
3.8 KiB
OCaml
open Common
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open Ci
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let tests =
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let test_creation () =
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let l_a = [ 1 ; 2 ; 3 ; 5 ; 64 ]
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and l_b = [ 2 ; 3 ; 5 ; 65 ] in
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let det = Determinant.of_lists 66 l_a l_b in
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let z_a = Determinant.alfa det
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and z_b = Determinant.beta det in
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Alcotest.(check (list int )) "alfa" (Spindeterminant.to_list z_a) l_a;
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Alcotest.(check (list int )) "beta" (Spindeterminant.to_list z_b) l_b;
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Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Pos) true;
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in
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let test_phase () =
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let l_a = [ 1 ; 2 ; 3 ; 64 ; 5 ]
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and l_b = [ 2 ; 3 ; 5 ; 65 ] in
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let det = Determinant.of_lists 66 l_a l_b in
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Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Neg) true;
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let l_a = [ 1 ; 2 ; 3 ; 64 ; 5 ]
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and l_b = [ 3 ; 2 ; 5 ; 65 ] in
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let det = Determinant.of_lists 66 l_a l_b in
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Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Pos) true;
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let l_a = [ 1 ; 3 ; 2 ; 64 ; 5 ]
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and l_b = [ 3 ; 2 ; 5 ; 65 ] in
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let det = Determinant.of_lists 66 l_a l_b in
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Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Neg) true;
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let l_a = [ 1 ; 3 ; 2 ; 64 ; 5 ]
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and l_b = [ 3 ; 2 ; 65 ; 5 ] in
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let det = Determinant.of_lists 66 l_a l_b in
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Alcotest.(check bool) "phase" (Determinant.phase det = Phase.Pos) true;
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in
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let test_operators () =
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let det =
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let open Determinant in
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let open Spin in
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creation Alfa 1 @@ creation Alfa 3 @@ creation Alfa 2 @@ creation Alfa 5 @@
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creation Beta 1 @@ creation Beta 3 @@ creation Beta 4 @@ creation Beta 5 @@ vac 10
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in
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Alcotest.(check bool) "creation 1" true
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(det = Determinant.of_lists 10 [ 1 ; 3 ; 2 ; 5 ] [1 ; 3 ; 4 ; 5 ] );
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let det' =
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Determinant.single_excitation Spin.Alfa 3 6 det
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in
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Alcotest.(check bool) "single_exc 1" true
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(det' = Determinant.of_lists 10 [ 1 ; 6 ; 2 ; 5 ] [1 ; 3 ; 4 ; 5 ] );
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let det' =
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Determinant.single_excitation Spin.Beta 3 6 det
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in
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Alcotest.(check bool) "single_exc 2" true
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(det' = Determinant.of_lists 10 [ 1 ; 3 ; 2 ; 5 ] [1 ; 6 ; 4 ; 5 ] );
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let det' =
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Determinant.single_excitation Spin.Alfa 4 6 det
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in
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Alcotest.(check bool) "single_exc 3" true (Determinant.is_none det');
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let det' =
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Determinant.single_excitation Spin.Beta 1 5 det
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in
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Alcotest.(check bool) "single_exc 4" true (Determinant.is_none det');
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let det' =
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Determinant.double_excitation Spin.Alfa 3 6 Spin.Alfa 2 7 det
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in
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let det'' = Determinant.of_lists 10 [ 1 ; 6 ; 7 ; 5 ] [1 ; 3 ; 4 ; 5 ] in
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Alcotest.(check bool) "double_exc 1" true (det' = det'');
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let det' =
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Determinant.double_excitation Spin.Beta 3 6 Spin.Beta 5 7 det
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in
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Alcotest.(check bool) "double_exc 2" true
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(det' = Determinant.of_lists 10 [ 1 ; 3 ; 2 ; 5 ] [1 ; 6 ; 4 ; 7 ] );
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let det' =
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Determinant.double_excitation Spin.Alfa 3 6 Spin.Beta 5 7 det
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in
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Alcotest.(check bool) "double_exc 3" true
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(det' = Determinant.of_lists 10 [ 1 ; 6 ; 2 ; 5 ] [1 ; 3 ; 4 ; 7 ] );
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let det' =
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Determinant.double_excitation Spin.Beta 5 7 Spin.Alfa 3 6 det
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in
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Alcotest.(check bool) "double_exc 4" true
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(det' = Determinant.of_lists 10 [ 1 ; 6 ; 2 ; 5 ] [1 ; 3 ; 4 ; 7 ] );
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let det' =
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Determinant.double_excitation Spin.Alfa 4 6 Spin.Alfa 2 7 det
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in
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Alcotest.(check bool) "double_exc 5" true (Determinant.is_none det');
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let det' =
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Determinant.double_excitation Spin.Beta 1 5 Spin.Alfa 2 7 det
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in
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Alcotest.(check bool) "double_exc 6" true (Determinant.is_none det');
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in
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[
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"Creation", `Quick, test_creation;
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"Phase", `Quick, test_phase;
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"Operators",`Quick, test_operators;
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]
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