spap · PyPI

This program can analyze symmetry and compare similarity of atomic structures.

License: GNU General Public License v3 or later (GPLv3+) (GPL)

Tags crystal structure, prototype, spap, similarity comparison, clustering, unsupervised learning, pattern recognition, machine learning, AI, structure prediction, DFT, CALYPSO

Project description

Structure Prototype Analysis Package (SPAP) can analyze symmetry and compare similarity of a large number of atomic structures. Typically, SPAP can process structures predicted by CALYPSO (www.calypso.cn).

Project details

License: GNU General Public License v3 or later (GPLv3+) (GPL)

Author: Chuanxun Su

Tags crystal structure, prototype, spap, similarity comparison, clustering, unsupervised learning, pattern recognition, machine learning, AI, structure prediction, DFT, CALYPSO

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This version

1.0.2

Jul 16, 2020

1.0.1

Dec 9, 2019

1.0.0

Dec 8, 2019

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Source Distribution

spap-1.0.2.tar.gz (14.2 kB view hashes)

Uploaded Jul 16, 2020 source

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spap-1.0.2-py3-none-any.whl (26.5 kB view hashes)

Uploaded Jul 16, 2020 py3

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