Question about Reax

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1

Hello,

I am learing to use Reax FF. I have Jul31-2012 version of LAMMPS.

I tried running the examples in Lammps - in CHO, RDX, Auo.
But all are giving error : Invalid pair style.

All have this form:

pair_style reax/c lmp_control
pair_coeff * * ffield.reax.rdx (or cho or Auo) 2 1 3 4

I also tried

pair_style reax 10.0 0 1 1.0e-5
pair_coeff * * ffield.reax.rdx 3 1 2 2

All these gives invalid pair style.

Can anyone please tell me what I am missing here ?

Thanks
Mani

2

Your LAMMPS is not built with either REAX or USER-REAXC packages. See
this page for more info:
http://lammps.sandia.gov/doc/Section_start.html#start_3_2.

Please read this as well: http://lammps.sandia.gov/doc/pair_reax_c.html.

Ray