The CoMD miniapp performs molecular dynamics using a cell method for improved scaling of the force loop.
Documentation and comments are pretty sparse. See the original CoMD code for more documentation.
So far there are three variants, ordered in increasing complexity, to make it easier to port to new languages.
- nsquared This variant uses the basic N^2 algorithm for particle interactions. It should be the easiest to port to a new language.
- cell This variant uses the cell method.
- mpi Builds on the cell variant and runs in parallel using MPI.