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Re: [lammps-users] adding a new compute
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Re: [lammps-users] adding a new compute

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 8 May 2018 21:27:05 -0400

On Tue, May 8, 2018 at 9:21 PM, Leila Khalili <lkhalil@...2174....> wrote:
Hi all,

I want to add a new compute, slip/atom, in the source code. I have generated compute_slip_atom.h and compute_slip_atom.ccp.
However, I got this error:ERROR: Illegal fix store command (../fix_store.cpp:33)
and the job is aborted in the compute slip/atom command.
Could be please help me to figure out what can be the problem?

​illegal XXX command means, that you didn't use the correct command line arguments​ correctly.
if you look up line 33 of fix_store.cpp, where the error occurs, so see that this happens due to an incorrect number of arguments.




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Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.