Jobs and Automation

These examples focus on running many calculations, organizing results, and connecting AMS to other Python workflows.

• Running Many PLAMS Jobs in Parallel
• Logging and Job Log Files in PLAMS
• Summarizing PLAMS Jobs with JobAnalysis
• Helium Dimer Dissociation Curve with ADF
• Correlation Plots for Computed Results
• Using AMS as an ASE Calculator
• Charged Systems with the AMS ASE Calculator
• Engine ASE with Import and File Calculators
• Hybrid engine UseLowestEnergy
• Reuse ForceField Parameters From Previous Calculations
• Constrained Geometry Optimization with AMSWorker