What is the status for using fix deposit with reax/c? I’ve used fix deposit with reax without problems, but trying the same simulation with reax/c very quickly leads to nan pressure and segmentation fault.
Sincerely,
Eirik Hjertenæs
Ph.D. student
Department of Chemistry
Faculty of Natural Science and Technology (NT)
Norwegian University of Science and Technology (NTNU)
I believe someone else is already doing this (depositing ReaxFF molecules).
I think it should work.
Steve
> > no, because i can not compile new version of lammps until now
> unfortunately
>
> you can always use one of the precompiled binaries, if needed you can
> run it in a virtual machine.
>
> > and i use lammps-8Jul13 version, but if it is not possible to use it with
> > reax/c pair_style i dont want to compile it because of unknown erros and
> the
> > lack of time now.
>
> create_atoms should work, but fix deposit is not likely to work, since
> reax/c is not a "native" LAMMPS code, but an interface to a standalone
> code and which does its own memory management.
>
> axel.
>
> > Best Regard.
> >
> >
> > ________________________________
> > From: Axel Kohlmeyer <[email protected]...>
> > To: Negar Amiri <[email protected]...>
> > Cc: LAMMPS Users Mailing List <[email protected]...>
> > Sent: Tuesday, 28 January 2014, 14:58:09
> > Subject: Re: [lammps-users] create_atom, mol keyword
> >
> >
> >>
> >> Dear LAMMPS users
> >> is it possible to use create_atoms, mol keyword or fix deposit with
> >> reax/c pair_style?
> > Have you tried?
> > Axel
> >
> >> Best Regard.
> >
> >>
> >>
> >>
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