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Re: [lammps-users] Calculate net force on a group of atoms
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Re: [lammps-users] Calculate net force on a group of atoms

From: Steve Plimpton <sjplimp@...24...>
Date: Thu, 7 Dec 2017 07:32:27 -0700

The doc page makes clear what fix store/force does.  It may not be
the same as summing the force at the end of a timestep.


On Mon, Dec 4, 2017 at 9:39 AM, Rajesh <creativeidleminds@...24...> wrote:
Dear Steve,
Thank you for your response. I intend to calculate total force in x, y and z directions on a group of atoms. How can I ascertain that I a doing it correct? The other command  that I think can work  is fix store/force. I think both should give same results.

On Mon, Dec 4, 2017 at 8:36 PM, Steve Plimpton <sjplimp@...24...> wrote:
I suggest you try the commands and output their
results.  Then examine them to see if they
produce what you expect.


On Thu, Nov 30, 2017 at 5:47 AM, Rajesh <creativeidleminds@...24...> wrote:
Dear lammps users
I am a group of atoms as a rigid body that is being pulled out from another polymer material. I want to calculate net force (fx fy and fz) on this group of atoms. Which command is most suitable for this? Please advise.

I am using like this
compute    frc BN property/atom fx fy fx 
compute    forc BN reduce sum c_frc[1] c_frc[2] c_frc[3]
Is it right? I mean will it take all the three force components fx fy and fz on each atom ?


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