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Band width reduction as internal step #15

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brandimarte opened this issue Oct 22, 2018 · 1 comment
Open

Band width reduction as internal step #15

brandimarte opened this issue Oct 22, 2018 · 1 comment
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enhancement New feature or request

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@brandimarte
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The band width reduction of the adjacency should be made internally when calling, for example, allKekules (if this is really need at all). When doing this the function should return the Kekule structures with respect to the indices of the original adjacency matrix.

@brandimarte brandimarte added the enhancement New feature or request label Oct 22, 2018
@tfrederiksen
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Is there any real gain by reordering when the adjacency matrix is represented with a normal (dense) numpy array? That is, not some sparse format?

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