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Closes #38 (closed)
https://calvera-test.ornl.gov/root?tool_id=neutrons_amml_lammps
takes graph_pb from previous run, mof.data and lammps input file.
returns dump.2 file and a log file (do we need dump.1?)
I'm using the deepmd gpu image, so lammps run on GPU. Not sure if that is faster than CPU.
the history with all the file is there