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Popular repositories

  1. Effective-Coordination-Number Effective-Coordination-Number Public

    This script calculates the effective coordination number for almost any atomic structure file type.

    Python 6

  2. Surface-Atoms-Analysis Surface-Atoms-Analysis Public

    This python script analyzes which atoms of a molecule (in xyz file, for instance) are exposed to the vacuum and is exposed area.

    Python 2

  3. Quandarium Quandarium Public

    This package present several tools to deal with Quantum Chemistry (QC) data of molecular systems (non-periodic).

    Python 1

  4. johnatanmucelini.github.io johnatanmucelini.github.io Public

    My personal page.

    HTML

  5. Adsorption Adsorption Public

    The present algorithm generates sets of atomic structures of adsorbed molecules, considering ridge structures and atoms as spheres of VDW radius (or a fraction of it).

    Python