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Re: [lammps-users] Increasing atom-ID when implementing "fix gcmc"
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Re: [lammps-users] Increasing atom-ID when implementing "fix gcmc"


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 16 Dec 2017 14:12:14 -0500



On Sat, Dec 16, 2017 at 5:07 AM, Dingbin Huang <dingbinhuang@...24...> wrote:
Hi LAMMPS mailing lists,

I used "fix gcmc" to control the density of system and used "compute cluster/atoms" & "dump" to output the cluster-ID of each atom. However, I encountered a problem: the cluster-ID and atom-ID keep increasing when implementing "fix gcmc", therefore, the cluster-ID was too big to be displayed completely (like 1.09374e+006 rather than 1093742 ) after about 5 000 000 steps.

I suppose the reason is the atom-ID arranged to a new atom inserted by "fix gcmc" is always bigger than the biggest atom-ID of existing atoms. Is there any way to avoid the increase of atom-ID when implementing "fix gcmc"? 

​no, but there are ways to change the formatting of output to write out more than 6 digits.

axel.​

 

The software I used is "LAMMPS 64-bit 20160629".

Thanks,
Dingbin Huang

Shanghai Jiao Tong University

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.