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Re: [lammps-users] Coul/cut gradients question
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Re: [lammps-users] Coul/cut gradients question

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Thu, 6 Jul 2017 10:17:58 -0400

On Thu, Jul 6, 2017 at 10:08 AM, Matthew Wander <mcfwander@...24...> wrote:
> Hi
> I am using hybrid overlay to conduct a two body potential energy scan using
> pair_coul_cut and my pair style vmm. However, when I check my dump file I
> only see the forces computed by my pair style not the contribution from
> coul/cut. Coul/cut is correctly contributing to the energy but somehow the
> contributions to f[i] are not, or if they are they are not being dumped
> correctly.
> Any ideas?

there is not much information to go on. you are missing even the most
basic required information (e.g. LAMMPS version, platform, compiler,
example input).

have you tried running with pair style coul/cut alone?


> thanks
> matthew
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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.