First public version of JAX-MD ⚛️
In this first version, a simple Molecular Dynamics model is proposed.
- The MD is performed using the velocity Verlet integrator.
- Lennard Jones potential is used for interatomic interaction.
New features ✨
- CLI using
jaxdyn - Output the trajectory file as an
.arcfile - Lennard Jones potential for interatomic interaction
- Velocity Verlet integrator
- Example files
Bug fixed 🐞
- Simple installation using
pip