ASE Engine Manual 2023.1

The ASE engine in the Amsterdam Modeling Suite can use Calculators from the Atomic Simulation Environment (ASE).

• PDF version of the ASE Manual

Table of Contents:

• Usage
  • What’s new in AMS2023.1?
  • Quickstart guide
    • Quickstart with GUI
    • Quickstart with Python
    • Quickstart with command-line
  • Engine input
    • Calculator from Import
      • Example without arguments
      • Example with arguments
    • Calculator from Python file
      • Example without arguments
      • Example with arguments
    • Specifying arguments for the Calculator
    • Obtaining results from the Calculator
  • Troubleshooting
  • Support
  • Licensing
  • References
• AMS driver’s tasks and properties
  • Geometry, System definition
  • Tasks: exploring the PES
  • Properties in the AMS driver
• ASE Keywords

• Index