simphony / simphony-lammps

The LAMMPS engine-wrapper for the SimPhoNy framework
http://www.simphony-project.eu/
BSD 2-Clause "Simplified" License
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Add DEM prototype #101

Closed nathanfranklin closed 8 years ago

nathanfranklin commented 9 years ago

This adds a DEM prototype which uses FILE-IO wrapper that in turn uses LIGGHTS

nathanfranklin commented 9 years ago

@ahashibon , here is where I am working on a DEM prototype that extends our current MD wrapper to support DEM (using LIGGHTS)

nathanfranklin commented 8 years ago

@ahashibon , @TobiasRasp , here is an update on extending this wrapper to support DEM through LIGGGHTS

Currently, the file utilities (read_data_file and write_data_file..) have been extended to support different atom types (currently "atomic" and "granular"/"spherical"). In addition, the wrapper has been extended so that it can be either configured for MD or DEM. The DEM wrapper assumes values for some things so that we can run a single example (dem_billiards.py).

what still is missing is:

I put these in order of when I will do them. I suspect the last one has a low priority

EDIT: created an issue to track these todos (#104)