[ase-users] LAMMPS io with ase

Brandon Cook brandongc at gmail.com
Tue Jan 29 19:34:11 CET 2013


I ran into a small problem reading some LAMMPS trajectory files with
ase.io.read. Specifically when the positions are given in terms of
scaled coordinates. Attached is a modified ase/io/lammps.py to account
for this possibility. Perhaps someone would be willing to look it over
and possibly include it in ASE.

Thanks,
Brandon
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