lammps(2) [debian man page]

LAMMPS(2012-02-23)														LAMMPS(2012-02-23)

NAME

       LAMMPS - Molecular Dynamics Simulator.

SYNOPSIS

       lammps < in.file

       or

       mpirun -np 2 lammps < in.file

DESCRIPTION

       LAMMPS  LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS
       has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained  or  meso-
       scopic  systems.  It  can  be  used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum
       scale.

       See http://lammps.sandia.gov/ for documentation.

COPYRIGHT

       (C) 2003--2012 Sandia Corporation

       This package is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as  published	by
       the Free Software Foundation; either version 2 of the License, or (at your option) any later version.

       This  package  is  distributed  in  the	hope  that  it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MER-
       CHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more details.

       On Debian systems, the complete text of the GNU General Public License can be found in `/usr/share/common-licenses/GPL-2'.

																LAMMPS(2012-02-23)

pwi2xsf(1)							     XCrySDen								pwi2xsf(1)

NAME

       pwi2xsf - convert the pw.x input file to XSF format

SYNOPSIS

       pwi2xsf [-r] file

DESCRIPTION

       pwi2xsf	extracts the atomic structure from pw.x input file and prints the XSF formated structure data to standard output.  It is a utility
       program	of  xcrysden  package  (http://www.xcrysden.org/)  and	XSF  is  the   native	xcrysden   structure   format	(http://www.xcrys-
       den.org/doc/XSF.html).

       If file is specified as "-" then standard input is read.

OPTION

       -r  For	old  pw.x  versions < 1.2 one must spefify the ityp-->nat conversion and the corresponding data are writen to file nuclei.charges.
	   The -r flag deletes this file as to force new ityp-->nat specification.

COPYRIGHT

       Copyright (C) 1996--2012 Anton Kokalj

       This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as  published	by
       the  Free  Software Foundation; either version 2 of the License, or (at your option) any later version.	You should have received a copy of
       the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place -  Suite  330,
       Boston, MA 02111-1307, USA.

       This  program  is  distributed  in  the	hope  that  it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MER-
       CHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more details.

XCrySDen							   March 9, 2012							pwi2xsf(1)