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Re: [lammps-users] How can we measure acting force on a group of atom in LAMMPS?
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Re: [lammps-users] How can we measure acting force on a group of atom in LAMMPS?

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Sat, 5 May 2018 13:27:18 -0400

the total force acting on a group of atoms is the sum of the forces on
all atoms in the group. for that you can use compute reduce.
the total force specifically between to groups of atoms can in some
simple cases, be difference of the total forces from above. for other
cases, there is compute group/group.


On Sat, May 5, 2018 at 11:43 AM, Md. Imrul Reza Shishir
<imrul.reza.shishir@...24...> wrote:
> Dear all
> Good day.
> I have a mono layer panel of atom for uniaxial tension simulation in LAMMPS.
> For stress-strain curve I normally plot the pressure in the applied strain
> direction with respect to strain.
> Now, I want to plot force-displacement curve. In normal sense, we can
> compute the force by multiply panel area with pressure (stress).
> My question is there any other way to measure the force between two group of
> atoms in LAMMPS (one is my panel and another is holder section for uniaxial
> test).
> Thank you in advance.
> Thank you very much.
> Best Regards
> Md Imrul Reza Shishir
> PhD Student
> UNC Charlotte
> United States
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Dr. Axel Kohlmeyer  akohlmey@...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.