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@magchainsimulationpackage @soft-matter-theory-at-icmab-csic

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  1. Python_examples Public

    Simple Python programs illustrating basic features of scientific calculations using python (scripts and notebooks)

    Jupyter Notebook

  2. Monte_Carlo_Metropolis_Examples Public

    Simple python programs to study the Ising model of magnetism in physics

    Jupyter Notebook 4 1

  3. SIESTA_examples Public

    Simple examples of DFT calculations woth SIESTA (electronic structure of a molecule and MD simulation of a chemical reaction)

    Python

  4. Examples_IMD Public

    Examples of Interactive Molecular Dynamics simulations

    Python

  5. Running_NAMD Public

    Scripts useful for running NAMD simulations

    Rich Text Format 2 1

  6. Examples_NAMD Public

    Examples of NAMD simulations

    Python