Tuesday, January 10, 2012

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.

1 comment:

  1. I'm now thinking I should have used a fast (which would be non-Python) regexp processor. I used Python functions that process text supposedly in C. Could an expert chime in on the fastest way?