adding a new compute

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1

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?

Thanks,

Leila

2

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.

​axel.​