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Re: [lammps-users] Fix spring/self output
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Re: [lammps-users] Fix spring/self output

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 4 May 2018 11:05:01 -0400

On Fri, May 4, 2018 at 10:00 AM, Michael Papanikolaou
<mich.papanikolaou@...24...> wrote:
> Dear all,
> I just have a query about the fix/spring self output. If the spring
> direction is set as y (for instance), would the fix output be equal to
> Σ(1/2*k*dyi^2) or Σ(1/2*k*( dxi^2 +dyi^2+dzi^2))?

if you set the direction to y, fix spring/self will internally set dx
and dy to 0.0;
thus you should get the former. please see the source code for confirmation.


> Thank you in advance.
> Kind Regards,
> Michalis
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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.