update the bop potential file and input

elements:

   2

  48   1.124118e+02 Cd

  52   1.276030e+02 Te

global:

  1.00e-05   1.00e-05   1.00e-05   1.00e-05   1.00e-05   1.00e-03   1.00e-05

  2   9.900000e-01   1.000000e-02

  2.0 0.625  1

  1.573798e+01   1.137622e+00   2.087779e+00

  2.218068e+01   2.689731e+00

  2.000000e+00   0.000000e+00

ptrs:

  0.000000e+00   1.000000e+00   4.200000e-01

  0.000000e+00   1.000000e+00   4.606863e-01

pairs:

  3.127600e+00   3.127600e+00   3.730300e+00   4.333000e+00

  3.263155e+00   1.553883e+00   2.800000e+00

  1.863695e-01   2.383177e-01   9.759853e-02

  0.000000e+00   5.611298e-01   0.000000e+00

  1.000000e+00   1.000000e+00   0.000000e+00

  4.318628e-01   1.500000e+01   1.000000e+06

  3.127600e+00   3.127600e+00   4.013800e+00   4.900000e+00

  2.587831e+00   1.287478e+00   2.811251e+00

  6.314400e-01   8.252896e-01   3.174259e-02

  0.000000e+00   1.286955e+00   0.000000e+00

  1.000000e+00   1.000000e+00   0.000000e+00

  5.000000e-01   0.000000e+00   1.000000e+06

  3.162600e+00   3.162600e+00   3.804600e+00   4.446500e+00

  2.458846e+00   1.223306e+00   2.799998e+00

  8.769118e-01   7.826353e-01   5.312050e-01

  0.000000e+00   1.014809e+00   0.000000e+00

  1.000000e+00   1.000000e+00   0.000000e+00

  3.312269e-01  -2.860190e+00   1.000000e+06

tris:

  3.968701e-01   8.810195e-01  -2.778897e-01

 -1.007128e-01  10.000000e-01   1.007128e-01

  2.007322e-01   6.000000e-01   1.992678e-01

  2.095238e-01   6.000000e-01   1.904762e-01

  3.928496e-03   9.999272e-01  -3.855665e-03

  1.171817e-01   8.348116e-01   4.800670e-02

Examples are shown below of how to run these scripts.  Log files for

running them on 1 and 4 processors of a Linux box are included in the

directory.  This assumes that the executable lmp_linux has been built

directory.  This assumes that the executable lmp_mpi has been built

with the appropriate packages installed in order to run with a

particular potential.  For the ReaxFF potential invoked by the in.reax

script, you should build the Fortran ReaxFF library in lib/reax, using

Any potential parameter file(s) used by the input scripts are also

included in this directory.

Note that some of the input scripts read data files of atomic

coordinates via the "read_data" command.  Those data files are NOT

included in this directory, to make the LAMMPS download tarball

smaller.  They are available on the Benchmark page of the LAMMPS WWW

site (lammps.sandia.gov/bench), via the tarball link in the table

under the Potentials section.  If you download and unpack the tarball

for a particular potential, the data file is included.

------------------------------------------------------------------------

lmp_linux < in.fene

lmp_linux < in.tersoff

lmp_mpi -in in.fene

lmp_mpi -in in.tersoff

mpirun -np 4 lmp_linux < in.fene

mpirun -np 4 lmp_linux < in.protein

mpirun -np 4 lmp_mpi -in in.fene

mpirun -np 4 lmp_mpi -in in.protein