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Achievement: Pull Shark

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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. Numerical-Newton-examples Numerical-Newton-examples Public

    Simple examples in python of different integrators of Newton equations of motion

    Jupyter Notebook 1

  3. Schrodinger_Numerical Schrodinger_Numerical Public

    Examples of Numerical Solution of the Schrödinger equation for simple potentials

    Jupyter Notebook

  4. Monte_Carlo_Metropolis_Examples Monte_Carlo_Metropolis_Examples Public

    Python programs showing examples of applications of Metropolis Montecarlo method

    Jupyter Notebook 4 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)

    Jupyter Notebook 1

  6. Protein_Simulation_Hands_on Protein_Simulation_Hands_on Public

    Hands on introduction to protein simulation using NAMD

    Jupyter Notebook