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Re: [lammps-users] Neb with reax
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Re: [lammps-users] Neb with reax


From: Steve Plimpton <sjplimp@...24...>
Date: Mon, 14 Aug 2017 10:03:50 -0600

The neb command takes 5 numeric args before the word "final".
You have 4.

Steve

On Mon, Aug 14, 2017 at 7:58 AM, Alexandra Davila <davila@...6924...> wrote:
Dear Lammps-users,

I am trying to do a neb calculation with reax, my input file is attached (with coordinates files).

Probably I am doing a very "beginner" mistake, the error message is:
##
ERROR: Expected integer parameter in input script or data file (../neb.cpp:119)
Last command: neb 0.0001 0 1000 10 final coords.final
##

thanks for the help and patience,


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