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pyZacros
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Table of contents
Introduction
Components overview
Extended Components
Predefined Models
Examples
Citations
pyZacros
Documentation
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pyZacros
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Python Library for Automating Zacros Simulations
Python Library for Automating Zacros Simulations
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Table of contents
Introduction
What is pyZacros
What can be done with pyZacros
Simple example
Components overview
Species / Species List
Lattice
Cluster / Cluster Expansion
Elementary Reaction / Mechanism
LatticeState
Settings
ZacrosJob
ZacrosResults
Extended Components
ZacrosParametersScanJob
ZacrosParametersScanResults
ZacrosSteadyStateJob
ZacrosSteadyStateResults
Predefined Models
Ziff-Gulari-Barshad Model
Langmuir-Hinshelwood Model
Reuter-Scheffler Model
Examples
Simple examples
Intermediate examples
Advanced examples
Citations