lammps/tools/ippe30420fc464frunner
ipp
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.