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19 lines
441 B
OCaml
19 lines
441 B
OCaml
val canonical_ortho: ?thresh:float -> overlap:Matrix.t -> Matrix.t -> Matrix.t
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(** Canonical orthogonalization. [overlap] is the overlap matrix {% $\mathbf{S}$ %},
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and the last argument contains the vectors {% $\mathbf{C}$ %} to orthogonalize.
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{%
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$$
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\mathbf{C_\bot} = \mathbf{C\, U\, D^{-1/2}}, \;
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\mathbf{U\, D\, V^\dag} = \mathbf{S}
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$$
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%}
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*)
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val qr_ortho: Matrix.t -> Matrix.t
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(** QR orthogonalization of the input matrix *)
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