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Huge tiime-consuming at pair.superimpose #332

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ytworks opened this issue Feb 22, 2024 · 0 comments
Open

Huge tiime-consuming at pair.superimpose #332

ytworks opened this issue Feb 22, 2024 · 0 comments

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@ytworks
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ytworks commented Feb 22, 2024

A little bit large molecule whichi contains 70 atoms including H consumes huge time at pair.superinpose.
It is about 12 hours... using recent XEON processor.

How to resolve?

I try to use manually_match_atoms_pair but I can not see improvement...
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@ytworks