Welcome to script_maker2000’s documentation!

Contents:

• Installation Guide
  • Using pip
  • Using conda
  • Installation on remote system
  • Quick-launch guide
• How does this program work?
  • Interface between python and the calculation module
  • Three layers of abstraction
  • Performance considerations
  • Automatic resource allocation
  • Local vs Remote operations
• Command-line interface
  • Scope and use cases:
• GUI
  • Starting the GUI
  • Config Creator
  • Creating a new config:
  • Submitting Jobs
  • Check on running and past jobs
  • Retrieving Results
• Developer section
  • Cloning the Repository and setting up the environment
  • Contributions
  • Adding a new calculation module
  • Next implementation steps
• Modules
  • script_maker2000.cli
  • script_maker2000.crest
  • script_maker2000.files
  • script_maker2000.orca
  • script_maker2000.slurm
  • script_maker2000.template

Indices and tables

• Index