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Re: [lammps-users] using variable lammps
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Re: [lammps-users] using variable lammps


From: Muhammad Saeed <saeedphysics96@...24...>
Date: Mon, 23 Apr 2018 19:30:00 +0800

Dear  Dr. Axel Kohlmeyer,

Thank you for your response and suggestions.

I am using LAMMPS version released on 11 Aug 2017, running on Linux platform.
My system is in solid state, a molecule containing C,H, O atoms placed on a graphene sheet.

Could you please suggest some other force-field for this type of system, i.e., containing C,H, and O atoms?
 
I could not find any other potential in LAMMPS potential directory for C,H,O.


Kind Regards

Saeed


On Mon, Apr 23, 2018 at 6:44 PM, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Mon, Apr 23, 2018 at 2:30 AM, Djelel Djelloul <bdjelel1398@...24...> wrote:
> Dear users,
> Please who can help me ,
> to  calculate some thermodynamic properties
> in different temperature i used variables below,
> variable a loop 7
> variable t index 100 200 300 400 500 600 700
> how can i display temperature in thermo_style
>
> i used thermo_style custom step temp epair etotal v_t  but no result.

what do you mean by "no result"?
there should be some kind of output or an error message.

axel.

p.s.: also, please *always* state which version of LAMMPS you are
using and on what platform you are running!

> Regards
>
>
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--
Dr. Axel Kohlmeyer  akohlmey@...43...4...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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kind regards

Muhammad Saeed

Postdoctoral Researcher 
Institute for Advanced Study
Shenzhen University
Nanhai Ave 3688
Shenzhen,Guangdong,
P.R.China, 518060.