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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.
  • atomRDF: 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++ 70 16

  2. pyscal3 pyscal3 Public

    More efficient and faster version of pyscal

    C++ 31 4

  3. atomRDF atomRDF Public

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

    Jupyter Notebook 14 1

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