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janus-core v0.8.2
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janus-core v0.8.2

Contents:

  • User guide
    • Getting started
    • 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
      • Nudged Elastic Band
  • Example configurations
    • Single Point
    • Geometry Optimisation
    • Molecular Dynamics
    • Phonons
    • Equation of State
    • Nudged Elastic Band
    • Descriptors
  • Developer guide
    • Getting started
    • Tutorial
    • Continuous Integration
  • API documentation
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Example configurationsΒΆ

  • Single Point
  • Geometry Optimisation
  • Molecular Dynamics
    • NVT
    • NPT
    • NVE
    • NPH
    • NVT NH
    • NVT CSVR
    • NPT MTK
  • Phonons
  • Equation of State
  • Nudged Elastic Band
  • Descriptors
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Single Point
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Nudged Elastic Band
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 Jul 04, 2025