LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] DPD parameter 'A'
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] DPD parameter 'A'

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 14 Nov 2017 11:10:38 -0500

On Mon, Nov 13, 2017 at 8:49 AM, Emir Kocer <emirkocer92@...92......> wrote:
Hello everyone,
I want to use the DPD package of LAMMPS to define the force field between liquid particles. I need three input parameters (A,gamma and cutoff) to specify in my script. In the corresponding documentation it is cited that the formulation is used according to the exposition of Groot and Warren (1997), where they developed the method itself. However, when I ran through that article I realized that they used energy units for parameter A, whereas LAMMPS want me to specify it in force units. Does anyone know how to use that parameter properly in an input script ?

​i disagree with your assessment. the definition that i see in that paper is exactly as in the LAMMPS documentation and the definition of A is that of a force (energy/distance).




Check out the vibrant tech community on one of the world's most
engaging tech sites,!
lammps-users mailing list

Dr. Axel Kohlmeyer  akohlmey@...12...24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.