data2xmovie	       convert a data file to a snapshot that xmovie can viz

eam_database	       one tool to generate EAM alloy potential files

eam_generate	       2nd tool to generate EAM alloy potential files

eff		       scripts for working with the EFF (electron force field)

eff		       scripts for working with the eFF (electron force field)

ipp		       input pre-processor Perl tool for creating input scripts

lmp2arc		       convert LAMMPS output to Accelrys Insight format

lmp2cfg		       convert LAMMPS output to CFG files for AtomEye viz

lmp2traj	       convert LAMMPS output to contour, density profiles

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.

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.

 amass1=  132.899994

 amass2=  22.9899998

 amass3=  138.899994

 amass4=  126.900002

 amass5=  1.

 ielement1= 55

 ielement2= 11

 ielement3= 57

 ielement4= 53

 ielement5= 1

 n1=3

 n2=3

 n3=3

 a=11.0

 theta=10.0

Tmid=300

Tbnd=300

NPTave=10000