The two main area of use for this code are
- Teaching molecular simulation, as one have to give the set of
algorithm they want to use, and can run MD from the REPL.
- Research code, for development of new molecular simulation methods.
It is also fast enough to run post-processing analysis, but not to run
big simulations on HPC clusters. It would needs parallelisation for this.
Guillaume
Christoph Ortner a écrit :
What are your short-term and long-term aims with this package? A user
code, teaching code or research code? Do you have specific
applications in mind?
Christoph
