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Re: [lammps-users] Fwd: reset_ids command
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Re: [lammps-users] Fwd: reset_ids command


From: Anders Hafreager <andershaf@...24...>
Date: Fri, 27 Apr 2018 08:02:26 +0200

No, before you had to write a script to remap (and keep track of all bonds) ids. 

Anders

On Fri, Apr 27, 2018 at 7:42 AM, Hyungmook Kang <hmkang@...633...> wrote:
Thank you so much, Axel. 

I checked my version is the latest stable version Mar 16 2018 and the command was newly added at Mar 20, 2018. 
I understand I can use it when I update my lammps to the version.

However, was there a similar way to renumber atoms before the version release?
How could renumber atoms with molecular atom style?

Thanks,
Mook

On Thu, Apr 26, 2018 at 9:11 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:


On Thu, Apr 26, 2018 at 11:01 PM, Hyungmook Kang <hmkang@...633...> wrote:
Dear lammps users,

​[...]

I can't use compress keyword of delete atoms since I use molecular atom style.
So. I tried to use "reset_ids" command 

But I got an error on both linux and Mac envrionments.
ERROR: Unknown command: reset_ids (../input.cpp:246)

I checked my lammps is the lastly updated version.

​which version is that exactly?

have you looked at this page?

 

Could somebody let me know the way to solve this problem or another way to reset atom IDs?

​my updated executable does have the reset_ids command:

$ ~/compile/lammps/src/lmp_mpi
LAMMPS (20 Apr 2018)
  using 1 OpenMP thread(s) per MPI task
reset_ids
ERROR: Reset_ids command before simulation box is defined (../reset_ids.cpp:33)
Last command: reset_ids
​axel.​

 



Many Thanks
Mook


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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.


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