Fix reax/c/species

LAMMPS LAMMPS General Discussion
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1

Hi,
I’m trying to use this delete function as the one presented in the Lammps manual (fix reaxff/species command — LAMMPS documentation):

fix 1 all reaxff/species 1 100 100 species.out delete species.del masslimit 0 50

But, the version of lammps that I have only recognize the forcefield reax/c, and when I try to include the delete option:

fix 1 all reax/c/species 1 100 100 species.out delete species.del masslimit 0 50

I got this error:

ERROR: Illegal fix reax/c/species command (…/fix_reaxc_species.cpp:222)
Last command: fix 2 all reax/c/species 1 100 100 species.out delete species.del masslimit 0 100

Is there a way to do the delete option with reax/c??

Thanks!

2

Yes, but you must use the 3 August 2023 version or a more recent version of LAMMPS. This feature does not exist in older versions.

Your error message tells me that you are using a quite old version of LAMMPS (from 2021 or older).

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