Contents

Our TSASE (pronounced “sassy”) library is an extension to ASE for transistion state calculations. If you are looking for our Solid State NEB or Kinetic Database code, you are in the right place.

Installation and Download

• About TSASE: Transition State Library for ASE
  • TSASE Contributors
• Installation
  • Download
  • Build Calculators
  • Environment Variables

TSASE modules

• Calculators
• Saddle Searches
• Support Vector Machine Applications
  • Optimizing Transition State Theory Dividing Surfaces
  • Accelerated Molecular Dynamics with Support Vector Machines
• TEM Image Comparison
  • Usage:
• Kinetic Database
  • Usage
• Local Optimizers
  • Local Optimization
  • Steepest Descent Limited memory BFGS
  • MDMin
• Global Optimizers
  • Combined Basin and Minima Hopping
  • Basin Hopping
  • Minima Hopping
• Scripts
  • File Conversion
  • Analysis Tools
  • File Visualization
• Structure Writer
  • Usage
• Molecular Dynamics
  • Anderson thermostat