The files in this directory are a user-contributed package for LAMMPS.
The person who created these files is Gerolf Ziegenhain
(gerolf@ziegenhain.com). Contact him directly if you have questions.
This package implements a "compute ackland/atom" command which can be
used in a LAMMPS input script. Like other per-atom compute commands,
the results can be accessed when dumping atom information to a file,
or by other fixes that do averaging of various kinds. See the
documentation files for these commands for details.
The Ackland computation is a means of detecting local lattice
structure around an atom, as described in G. Ackland,
PRB(2006)73:054104.
The output is a number with the following mapping:
enum{UNKNOWN,BCC,FCC,HCP,ICO};
or in other words:
0 == UNKNOWN
1 == BCC
2 == FCC
3 == HCP
4 == ICO
