Showing posts with label lammps. Show all posts
Showing posts with label lammps. Show all posts

Tuesday, January 10, 2012

LAMMPS tools: ave/time reader

Self explanatory.

vecfilesrdr in avetimevecrdr.py in https://github.com/majidaldo/lammpstools

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

LAMMPS tools: dumpfile reader

function dumps2vecs in dumps2vecs.py in https://github.com/majidaldo/lammpstools

 I tried to make this reader as fast as possible since dump files can get huge. It can read one dump file or a sequence of them.