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tmmc-lnpy 0.8.1 documentation

  • tmmc-lnpy
  • Installation
  • User guide
    • Why tmmc-lnpy?
  • API reference
    • Top level API (lnpy)
    • Modules
      • lnPi data classes and routines (lnpidata)
      • Local free energy of lnPi (lnpienergy)
      • Segmentation of lnPi (segment)
      • Ensemble averages (ensembles)
      • Routines to combine \(\ln \Pi\) data (combine)
      • Thermodynamic stability (stability)
      • Collection of lnPi objects (lnpiseries)
      • Examples (examples)
      • Utility functions (utils)
      • mask_change_convention()
      • RootResultDictReq
      • Options (options)
    • Base classes and other methods
    • Legacy API
      • Legacy lnPi array routines (maskedlnpi_legacy)
  • License
  • Contributing
  • Credits
  • Changelog
  • Indices and tables
    • Index
    • Module Index
  • Repository
  • Open issue
  • .md

User guide

User guide#

  • Why tmmc-lnpy?
  • Usage
    • lnPiMasked
    • Reweighting results
    • Calculating Ensemble properties
  • Collections of lnPi Values
    • Accessing properties of collection
  • Loading examples
  • Single component system with phase transitions.
    • Local maxima
    • Watershed
    • local free energy
    • Construct collection
    • At a different \(\ln z\) value
    • Tagging phases
  • Calculation Binodal and spinodal
  • Multi component systems
    • Considering lines of constant \(\ln z\) or constant \(\Delta \ln z\).
    • Multicomponent system with phase transitions

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Why tmmc-lnpy?

By William P. Krekelberg

© Copyright 2015, William P. Krekelberg.

Last updated on 2026-04-10.