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@pyscal

pyscal

Welcome to pyscal organisation page! Check out our repos:

  • pyscal : A python-C++ hybrid module for local structure evolution including Steinhardts parameters.
  • pyscal3 : A modern, fast, and efficient version of pyscal, currently in development.
  • pyscal_rdf: python tool for ontology-based creation, manipulation, and quering of structures using the Computational Material Sample Ontology.

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  1. pyscal pyscal Public

    Python library written in C++ for calculation of local atomic structural environment

    C++ 56 16

  2. pyscal3 pyscal3 Public

    More efficient and faster version of pyscal

    Jupyter Notebook 10

  3. atomRDF atomRDF Public

    atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).

    Jupyter Notebook 6

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