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SEAMM 1.0 documentation - Home SEAMM 1.0 documentation - Home
  • Getting Started
  • How-To Guide
  • Background Information
  • User Guide
    • Developers Documentation
    • Glossary
    • Plug-ins
    • Status
    • Statistics
    • SEAMM Developers
    • Acknowledgements
    • SEAMM Documentation
    • MolSSI
  • GitHub
  • Twitter
  • Getting Started
  • How-To Guide
  • Background Information
  • User Guide
  • Developers Documentation
  • Glossary
  • Plug-ins
  • Status
  • Statistics
  • SEAMM Developers
  • Acknowledgements
  • SEAMM Documentation
  • MolSSI
  • GitHub
  • Twitter

Section Navigation

  • A Home for Tools
  • Software Ecosystem
    • Graphical User Interface
    • Dashboard
    • Flowchart
    • Flowchart Interpreter
    • Job Manager
    • Job Datastore
  • Plug-ins
  • Handling Forcefields and Interatomic Potentials in SEAMM
    • Anatomy of a Forcefield Plug-in
    • Selecting a Forcefield
    • Atom Typing
    • Energy Expression
    • Using the Energy Expression
  • Creating a New Plug-in
    • Saving Properties in the Database
    • Creating the Initial Code and Uploading to GitHub
  • Tips and Tricks
    • Updating with Cookiecutter
  • Tutorials for Developers
    • Installing the Development Environment
    • A simple plug-in: PySCF
      • Creating the plug-in with the seamm-cookiecutter
      • “Compiling” the plug-in
      • An overview of the code
      • Customizing the plug-in to run PySCF
      • Create a test flowchart
  • Core Modules
    • seamm
    • molsystem
    • seamm-util
    • seamm-widgets
    • seamm-ff-util
    • seamm-jobserver
    • seamm-installer
  • Developers Documentation

Developers Documentation#

The present section is primarily focused on the software engineering aspects of the SEAMM program package that might be of interest to the developers that are not affiliated to the MolSSI.

The following sections will help you get started.

  • A Home for Tools
  • Software Ecosystem
  • Plug-ins
  • Handling Forcefields and Interatomic Potentials in SEAMM
  • Creating a New Plug-in
  • Tips and Tricks
  • Tutorials for Developers
  • Core Modules

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