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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-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

  4. pyiron-nist-workshop pyiron-nist-workshop Public

    Jupyter Notebook 1 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 42 repositories
  • 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 Jul 17, 2024
  • pyiron-conceptual-dict Public

    First trial for pyiron based conceptual dictionary for use with ontologies and OpenBis

    pyiron-dev/pyiron-conceptual-dict’s past year of commit activity
    Jupyter Notebook 0 BSD-3-Clause 0 2 0 Updated Jul 16, 2024
  • compare-workflow-graphs Public

    Compare workflow graphs to identify a superset of commands which supports both file based workflows as well as python workflows.

    pyiron-dev/compare-workflow-graphs’s past year of commit activity
    Jupyter Notebook 0 0 2 1 Updated Jul 10, 2024
  • NFDI4Ing_pyiron_base Public archive

    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 Jul 6, 2024
  • pyiron_base_graph Public

    Example Quantum Espresso Workflow as developed in the ADIS Workshop

    pyiron-dev/pyiron_base_graph’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Jul 6, 2024
  • 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 2 0 Updated Jun 19, 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
  • .github Public
    pyiron-dev/.github’s past year of commit activity
    0 0 0 0 Updated Feb 6, 2024
  • pyiron-dynamic-executable Public archive

    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 archive

    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
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