lammps/tools/createatoms
sjplimp 4df5a5dee0 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4679 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:46:27 +00:00
..
Manual.pdf git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4674 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:37:28 +00:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4679 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:46:27 +00:00
create.input git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4674 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:37:28 +00:00
createAtoms.f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4674 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:37:28 +00:00
createAtoms.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4674 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:37:28 +00:00

README

The createAtoms tool

createAtoms.f is a Fortran program which can generate a variety of
interesting crystal structures and geometries and output the resulting
list of atom coordinates in LAMMPS or other formats.

See the included Manual.pdf for details of how to create input files
for createAtoms and run it.

The tool is authored by Xiaowang Zhou (Sandia) who can be contacted at
xzhou at sandia.gov for questions.

Sample build of program:
gfortran createAtoms.f which produces a.out

This tool can be used in conjunction with the ipp tool for creating
its input commands.  See tools/ipp/README.txt for an example.