Some deepMD Example

Requirements

To run the simulation, you'll need the following software installed:

• VASP

• DeepMD-kit

• DP-Gen

• DPDispatcher

• dpdata

• LAMMPS

  After DeepMD-kit is installed, lmp mpi is built-in

• Python

Make sure the required packages are installed, and your environment is properly configured.

Examples

• water_dp
• methane_dpgen

License

This project is licensed under the MIT License.