LAMMPS: Large scale Atomic/Molecular Massively Parallel Simulator
Warning
We are aware that the current tutorials for interfacing LAMMPS with NanoVer are incomplete (see Issue #84), and are working to resolve these problems.
Installing LAMMPS
NanoVer can interact with the LAMMPS simulation engine. If you want to use this specific feature, you need to:
install LAMMPS with python capabilities
install mpy4py:
conda install -c conda-forge mpi4py
on Linux and MacOSpython -m pip install mpi4py
on Windows
install nanover-lammps:
conda install -c irl -c conda-forge nanover-lammps
Jupyter notebook tutorials
A tutorial that demonstrates how to use NanoVer to run interactive molecular dynamics simulations using LAMMPS.
lammps_client_server: A notebook showing how to run an interactive molecular dynamics LAMMPS simulation.