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janus-core v0.8.0
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janus-core v0.8.0

Contents:

  • Getting started
  • User guide
    • Installation
    • Python interface
    • Command line interface
    • Troubleshooting
  • Tutorials
    • Python Tutorials
      • Single Point
      • Geometry Optimization
      • Molecular Dynamics
      • Equation of State
      • Phonons
      • Nudged Elastic Band
    • Command-line Tutorials
      • Single Point
      • Geometry Optimization
      • Molecular Dynamics
      • Phonons
      • Nudge Elastic Band
  • Developer guide
    • Getting started
    • Tutorial
    • Continuous Integration
  • API documentation
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Developer guideΒΆ

  • Getting started
    • Using uv
    • Running unit tests
    • Automatic coding style check
    • Building the documentation
    • Notebook tutorials
    • Continuous integration
  • Tutorial
    • Adding a new MLIP
      • 1. Add required dependencies
      • 2. Register MLIP architecture
      • 3. Add MLIP calculator
      • 4. Add tests
    • Adding a new Observable
      • 1. Defining the observable.
      • 2. Writing the __call__ method.
  • Continuous Integration
    • MacOS self-hosted runner
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Copyright © 2024-2025, Elliott Kasoar, Patrick Austin, Harvey Devereux, Kieran Harris, David Mason, Jacob Wilkins, Federica Zanca, Alin M. Elena. All rights reserved
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Last updated on May 20, 2025