Tutorials¶

This section aims at providing step-by-step tutorials on how to create and design a classical molecular dynamics simulation using exaStamp. The application takes advantage of YAML and can be fully defined using a combination of YAML nodes that act as individual operators. This allows a fine customization of the simulation by the user. Default configuration files are located in exaStamp/data/config and the basic ones are explained below.

Below are direct links and short explanation of the available tutorials:

• Simple NVE simulation using an EAM potential
• Rigid H2O molecule
• *Piston shock simulation