NET-Finder
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Contents:

  • Introduction
  • Installation
  • Usage
  • Dimer
  • ReactionPath
  • TransitionStateSearch
  • ReactionNetwork
NET-Finder
  • Welcome to NET-Finder’s documentation!
  • Edit on GitHub

Welcome to NET-Finder’s documentation!

NET-Finder is an advanced computational tool designed for the automated and systematic search of reaction networks. It utilizes transition state theory and the dimer method to explore potential energy surfaces, starting from initial reactant structures.

Contents:

  • Introduction
    • Key Features
    • Theory
  • Installation
    • System Requirements
    • Dependencies
    • Installation Steps
    • Installing Optional Dependencies
    • Troubleshooting
  • Usage
    • Quick Start
    • Basic Usage
    • Advanced Usage
    • Analyzing Results
    • Troubleshooting
  • Dimer
    • Overview
    • Key Features
    • Basic Usage
    • Parameters
    • Methods
    • Advanced Usage
    • Notes
  • ReactionPath
    • Overview
    • Key Features
    • Basic Usage
    • Attributes
    • Properties
    • Methods
    • Advanced Usage
    • Integrating with Other Modules
    • Notes
  • TransitionStateSearch
    • Overview
    • Key Features
    • Basic Usage
    • Parameters
    • Methods
    • Advanced Usage
    • Integration with Other Modules
    • Notes
  • ReactionNetwork
    • Overview
    • Key Features
    • Basic Usage
    • Parameters
    • Methods
    • Advanced Usage
    • Visualization
    • Integration with Other Modules
    • Notes

Indices and tables

  • Index

  • Module Index

  • Search Page

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