Getting Started

In this text, we will call the deep neural network that is used to represent the interatomic interactions (Deep Potential) the model. The typical procedure of using DeePMD-kit is

• 1. Easy install
• 2. Prepare data with dpdata
• 3. Training a model
• 4. Freeze a model
• 5. Test a model
• 6. Running MD with LAMMPS