create_atom, mol keyword

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1

Dear LAMMPS users
is it possible to use create_atoms, mol keyword or fix deposit with reax/c pair_style?
Best Regard.

2

Dear LAMMPS users
is it possible to use create_atoms, mol keyword or fix deposit with reax/c pair_style?

Have you tried?

Axel

3

no, because i can not compile new version of lammps until now unfortunately 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.
Best Regard.

4

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.

5

thank you so much for your usefull answer.
Best Regard.

6

I believe someone else is already doing this (depositing ReaxFF molecules).

I think it should work.

Steve