Welcome to pmutt’s documentation!

Getting Started

• Python Multiscale Thermochemistry Toolbox (pMuTT)
  • Documentation
  • Developers
  • Dependencies
  • Getting Started
  • License
  • Publications
  • Contributing
  • Questions
  • Funding
  • Special Thanks
• Installation
  • Installing Python
  • Installing pMuTT using pip
  • Installing pMuTT from source
  • Installing the developer branch
  • Upgrading pMuTT using pip
  • Running unit tests
• Examples
  • Overview
  • Experimental to Empirical
  • Excel to Empirical Data
  • Reaction
  • Chemkin_IO
  • OpenMKM_IO
  • Phase Diagram
  • Workshops
  • NAM26 Workshop
  • AIChE 2019 Workshop
• Workshops
  • NAM 2019
  • AICHE 2019
  • Multiscale Catalysis Polimi 2020
• Publications
  • Logos
  • Cited By
• Referencing

API Reference

• Constants
  • Constants
  • Unit Conversions
  • Misc.
• Input and Output
  • Excel
  • Thermdat
  • JSON
  • YAML
  • VASP
  • Gaussian
  • Chemkin
  • OpenMKM
• Empirical Models
  • Parent Class
  • Nasa
  • Shomate
  • Referencing
  • Misc.
• Statistical Thermodynamic Models
  • StatMech Base Class
  • Presets
  • Translational Models
  • Vibrational Models
  • Rotational Models
  • Electronic Models
  • Nuclear Models
  • Misc.
  • Creating New StatMech Models
• Mixture Models
  • Coverage Effects
• Kinetic Models
  • Chemkin
  • Cantera
  • OpenMKM
  • Zacros
• Reactions
  • Reaction Objects
  • Reactions Objects
  • BEP
• Equilibrium Models
  • Equilibrium
• Phase Diagrams
  • pmutt.reaction.phasediagram.PhaseDiagram
  • Examples
• Equations of State
  • pmutt.eos.IdealGasEOS
  • pmutt.eos.vanDerWaalsEOS
• Visualization
  • Plot_1D
  • Plot_2D
• Helper Functions
  • get_molecular_weight
  • pmutt_list_to_dict
  • get_geometry_from_atoms
• Release Notes
  • Development Branch
  • Version 1.4.17
  • Version 1.4.15
  • Version 1.4.14
  • Version 1.4.13
  • Version 1.4.11
  • Version 1.4.10
  • Version 1.4.9
  • Version 1.4.7
  • Version 1.4.6
  • Version 1.4.5
  • Version 1.4.4
  • Version 1.4.3
  • Version 1.4.2
  • Version 1.3.2
  • Version 1.2.21
  • Version 1.2.20
  • Version 1.2.19
  • Version 1.2.18
  • Version 1.2.17
  • Version 1.2.16
  • Version 1.2.15
  • Version 1.2.14
  • Version 1.2.13
  • Version 1.2.12
  • Version 1.2.11
  • Version 1.2.10
  • Version 1.2.9
  • Version 1.2.8
  • Version 1.2.7
  • Version 1.2.6
  • Version 1.2.5
  • Version 1.2.4
  • Version 1.2.3
  • Version 1.2.2
  • Version 1.2.1
  • Version 1.2.0
  • Version 1.1.3
  • Version 1.1.2
  • Version 1.1.1
  • Version 1.1.0

Useful Links

• View Source Code (GitHub)
• Report an Issue

Indices and tables

• Index

• Search Page

Sphinx Version:

7.3.7