atom_style hybrid sphere molecule

Submitted by NielsD on Fri, 09/21/2012 - 12:37

Hi,

I'd like to set up a simulation with some clumped particles. In Version 1.5.3 my script startet with:

atom_style hybrid granular molecular

But if I want to start a simulation in Version 2.1 with:

atom_style hybrid granular molecular
or
atom_style hybrid sphere molecular

In both cases there is the message ERROR: Invalid atom style (atom.cpp:343).
Why this happens? Should i compile with some extra packages?

Best regards, Niels

junchen00 | Mon, 09/24/2012 - 06:13

You can have a look at "style_atom.h". If there is not #include "atom_vec_molecular.h", you should add it.

ckloss's picture

ckloss | Mon, 09/24/2012 - 10:37

Hi junchen00,
is not quite correct. You need to issue a "make yes-molecule", "make clean-all" and the compile to install the package. style_atom.h is auto-generated during the compilation process, no need to modify that.

Cheers, Christoph

NielsD | Tue, 09/25/2012 - 08:30

Thank you both for your answers now it works :)

In case it is realy easy to compile liggghts with some extra packages only type "make yes-PACKAGENAME" and compile new. Next time I take some minutes to read the manual careful.

Cheers Niels

Temeraire88 | Fri, 04/25/2014 - 09:28

Hi
have the same problem with:

atom_style hybrid granular molecular

I installed the molecule package but the ERROR message: Invalid atom style (atom.cpp:343) still occurs.
(I use the LIGGGHTS-PUBLIC Version 2.3.8)

Cheers, Jürgen

ckloss's picture

ckloss | Wed, 04/30/2014 - 13:25

>>(I use the LIGGGHTS-PUBLIC Version 2.3.8)
Please update to the latest-and-greatest, which is 3.0.1!

Christoph