Tuesday, January 10, 2012

LAMMPS tools: dumpfiles to hdf5 database

If you're going to manipulate large dump file data more than once, it's best to have it in the binary but portable hdf5 format. Requires h5py. Can resume if the process is interrupted.

dumps2hdf5 in dumps2hdf5.py in https://github.com/majidaldo/lammpstools. Can also be run from the command line. See code documentation

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