Comprehensive Calculation Utility (moller)

• 1. Introduction
  • 1.1. What is moller?
  • 1.2. License
  • 1.3. Contributors
  • 1.4. Copyright
  • 1.5. Operating environment
• 2. Installation and basic usage
• 3. Tutorial
  • 3.1. Basic usage
  • 3.2. Example for moller calculation with HPhi
  • 3.3. Example for moller calculation with DSQSS
• 4. Command reference
  • 4.1. moller
  • 4.2. moller_status
• 5. File format
  • 5.1. Job description file
  • 5.2. List file
• 6. Extension guide
  • 6.1. Bulk job execution by moller
  • 6.2. How moller works
  • 6.3. How to extend moller for other systems