3. Tutorial¶

  • 3.1. Basic usage
    • Prepare job description file
    • Generate batch job script
    • Create list file
    • Run batch job
    • Check status
    • Rerun failed tasks
  • 3.2. Example for moller calculation with HPhi
    • What’s this sample?
    • Preparation
    • How to run
  • 3.3. Example for moller calculation with DSQSS
    • What’s this sample?
    • Preparation
    • How to run

Moller Users Guide

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Contents:

  • Comprehensive Calculation Utility (moller)
    • 1. Introduction
    • 2. Installation and basic usage
    • 3. Tutorial
    • 4. Command reference
    • 5. File format
    • 6. Extension guide

Related Topics

  • Documentation overview
    • Comprehensive Calculation Utility (moller)
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      • Next: 3.1. Basic usage

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