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Re: [lammps-users] nonpriodic boundry condition
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Re: [lammps-users] nonpriodic boundry condition


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sun, 1 Oct 2017 13:08:25 -0400



On Sun, Oct 1, 2017 at 12:35 PM, Hossein Geraili <geraili.hsn@...24...> wrote:
Can I say that NPT with 0.00 atm pressure is the same as nonperiodic boundary condition?

​no.

best



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On Sun, Oct 1, 2017 at 7:33 PM, Hossein Geraili <geraili.hsn@...24...> wrote:
Dear lammps users,
How can I control the temperature in nonperiodic boundary condition without controlling volume with NVE? I want to calculate density at the ideal gas state, so I need to control temperature, but thermostats have no time integration.
best regards 

--
Hosein Geraili Daronkola
M.Sc.Graduated of physical chemistry
Physical Chemistry,
Department of Chemistry,
Sharif University of Technology.
geraili_hosein@...7110...



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--
Hosein Geraili Daronkola
M.Sc.Graduated of physical chemistry
Physical Chemistry,
Department of Chemistry,
Sharif University of Technology.
geraili_hosein@...7110...

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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.