[lammps-users] Illegal pair_style command for reax example lammps of 18Oct10

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1

Thanks, those files are in the src directory. I had used the included example input scripts in.reax.rdx and in.reax.tatb, which I have not edited.

Comparing the scripts to the documented form of the command at
http://lammps.sandia.gov/doc/pair_reax.html
I added the second parameter hbnewflag = 0 to the files and ran without errors. It appears the provided input scripts are missing the 2d optional parameter and line 9 should read:
pair_style reax 10.0 0 1.0e-6

How do I submit these changes for inclusion?

Jane

2

This line:

pair_style reax 10.0 0 1.0e-6

is in the current distribution already,
e.g. in examples/reax/in.reax.rdx.

You must be using older files?

Steve