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

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  1. Python_examples Python_examples Public

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

    Jupyter Notebook

  2. Schrodinger_Numerical Schrodinger_Numerical Public

    Examples of Numerical Solution of the Schrödinger equation for simple potentials

    Jupyter Notebook

  3. Monte_Carlo_Metropolis_Examples Monte_Carlo_Metropolis_Examples Public

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

    Jupyter Notebook 4 1

  4. MonteCarlo-example MonteCarlo-example Public

    Simple example to illustrate Monte Carlo simulation by calculating number Pi

    Jupyter Notebook 1 1

  5. SIESTA_examples SIESTA_examples Public

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

    Python

  6. Examples_IMD Examples_IMD Public

    Examples of Interactive Molecular Dynamics simulations

    Python