Radahn is an interactive molecular dynamic application allowing users to steer their MD simulations and getting live feedback. The framework is currently build around LAMMPS as a simulation backend and will be extended to Gromacs in the future.
Save the data stored by the KVS into a .csv file at the end of the simulation. For now, we will only do it at the end and not care about runtime checkpointing.
Save the data stored by the KVS into a .csv file at the end of the simulation. For now, we will only do it at the end and not care about runtime checkpointing.