Closed nathanfranklin closed 8 years ago
@ahashibon , here is where I am working on a DEM prototype that extends our current MD wrapper to support DEM (using LIGGHTS)
@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)
This adds a DEM prototype which uses FILE-IO wrapper that in turn uses LIGGHTS