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Direct Upsampling

  • GitLab

Contents:

  • API Reference
    • Core
    • MD Sampling
    • Thermodynamic Integration
    • Upsampling / Free Energy Perturbation
    • Effective Quasi-Harmonic
    • I/O and Folders
    • Calculators
    • Utilities
  • CLI Reference
  • Examples
    • Effective quasi-harmonic potential
    • Thermodynamic integration
  • .rst

Examples

Examples#

This gallery contains examples.

Effective quasi-harmonic potential

Effective quasi-harmonic potential

Thermodynamic integration

Thermodynamic integration

Download all examples in Python source code: tutorials_python.zip

Download all examples in Jupyter notebooks: tutorials_jupyter.zip

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