How can I get fingerprint vector?

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정태영

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Jun 9, 2021, 11:10:34 PM6/9/21

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Hi.

I want to get fingerprint vectors from POSCAR files and calculate distances between the structures.

I used your online utility for getting fingerprints, but it gave me just graphs.

How can I get fingerprints?

Dmitry Volkov

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Jun 10, 2021, 3:06:39 PM6/10/21

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Hello!

Unfortunately, calculating the cosine distance between structures in the current Matlab release of USPEX 10.4 cannot be done. But this operation is implemented in the new preparing python-based USPEX release, which will be available for users pretty soon! In the new version, this operation is straightforward and can be done simply by importing a few functions.