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https://github.com/LCPQ/quantum_package
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20 lines
674 B
OCaml
20 lines
674 B
OCaml
let test_point3d_1 () =
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let input = "7.4950000 -0.1499810 0.5085570" in
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let p3d = Point3d.of_string Units.Angstrom input in
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print_endline(Point3d.to_string Units.Angstrom p3d);
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let p3d = Point3d.of_string Units.Bohr input in
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print_endline (Point3d.to_string Units.Bohr p3d)
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;;
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let test_point3d () =
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let p1 = Point3d.of_string Units.Bohr "1. 2. 3."
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and p2 = Point3d.of_string Units.Bohr "-2. 1. 1.5" in
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Printf.printf "%f\n" (Point3d.distance p1 p2);
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let p1 = Point3d.of_string Units.Angstrom "1. 2. 3."
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and p2 = Point3d.of_string Units.Angstrom "-2. 1. 1.5" in
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Printf.printf "%f\n" (Point3d.distance p1 p2)
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;;
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test_point3d_1 ();
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test_point3d ();
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