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pyiron-dev

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pyiron Development Examples

This Github organisation collects development examples of the pyiron project.

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  1. pyiron-quantum-espresso pyiron-quantum-espresso Public

    quantum espresso interface for pyiron based on ase

    Jupyter Notebook 3

  2. pyiron-gui-example pyiron-gui-example Public

    Jupyter Notebook 2 1

  3. pyiron-nist-workshop pyiron-nist-workshop Public

    Jupyter Notebook 1 2

  4. pyiron-free-energy pyiron-free-energy Public

    "Nonequilibrium free-energy calculation of solids using LAMMPS" Rodrigo Freitas, Mark Asta, and Maurice de Koning. Computational Materials Science

    Jupyter Notebook 2 2

  5. pyiron-config pyiron-config Public

    Jupyter Notebook 1

  6. pyiron-cp2k pyiron-cp2k Public

    cp2k interface for pyiron based on pycp2k

    Jupyter Notebook 1

Repositories

Showing 10 of 39 repositories
  • pyiron-hdf5-format Public

    Compare how different pyiron job objects are serialised in HDF5

    pyiron-dev/pyiron-hdf5-format’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jun 19, 2024
  • remote-executor Public

    Executor interface to submit python function to a Flux queuing system.

    pyiron-dev/remote-executor’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated May 17, 2024
  • pyiron_base_atomistics Public

    Replace pyiron_atomistics by pyiron_base and atomistics

    pyiron-dev/pyiron_base_atomistics’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 1, 2024
  • NFDI4Ing_pyiron_base Public

    Implement NFDI4Ing workflows with pyiron_base - work in progress

    pyiron-dev/NFDI4Ing_pyiron_base’s past year of commit activity
    Jupyter Notebook 0 0 1 0 Updated Mar 27, 2024
  • .github Public
    pyiron-dev/.github’s past year of commit activity
    0 0 0 0 Updated Feb 6, 2024
  • pyiron-dynamic-executable Public

    Generate pyiron JobClasses dynamically

    pyiron-dev/pyiron-dynamic-executable’s past year of commit activity
    Jupyter Notebook 0 BSD-3-Clause 0 0 0 Updated Jan 16, 2024
  • pyiron-dynamic Public

    Generate pyiron JobClasses dynamically

    pyiron-dev/pyiron-dynamic’s past year of commit activity
    Jupyter Notebook 0 BSD-3-Clause 0 0 0 Updated Jan 16, 2024
  • debug-pyiron-integration-tests Public
    pyiron-dev/debug-pyiron-integration-tests’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jan 12, 2024
  • pyiron-quantum-espresso Public

    quantum espresso interface for pyiron based on ase

    pyiron-dev/pyiron-quantum-espresso’s past year of commit activity
    Jupyter Notebook 3 0 0 0 Updated Dec 18, 2023
  • test-lammps-mlip Public

    Test LAMMP mlip - Version 3

    pyiron-dev/test-lammps-mlip’s past year of commit activity
    Jupyter Notebook 0 0 0 1 Updated Nov 22, 2023
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