lammps/tools/ipp
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
..
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
fill_parameters_createAtoms.input 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
fill_parameters_lammps.input 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
ipp 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
template_createAtoms.input 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
template_lammps.input 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

README

Ipp is a Perl script for facilitating the creation of a complicated
file (say, a lammps input file or tools/createatoms input file) using
a template file.

ipp was created and is maintained by Reese Jones (Sandia), rjones at
sandia.gov.

Example 1:

If one has a template for a long lammps input file called
"template_lammps.input" where a few parameters need to be changed. One
can define these parameters in a short file called
"fill_parameters_lammps.input" and execute "ipp -p
fill_parameters_lammps.input template_lammps.input >
lammps.input". The file "lammps.input" file will be the final lammps
input file.

Example 2:

If one has a template for a long createAtoms input file called
"template_createAtoms.input" that creates double elpasolite
crystals. One wants to change the lattice constants and tilting angle
of the octahedrons. One can define these parameters in a short file
called "fill_parameters_createAtoms.input" and execute "ipp -p
fill_parameters_createAtoms.input template_createAtoms.input >
createAtoms.input". The "createAtoms.input" file will be the final
createAtoms input file. If one has an excetable for createAtoms called
"create", one can simply execute "create<createAtoms.input" to create
the crystal that LAMMPS can read.