LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] table potential issues.
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] table potential issues.

From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 21 Aug 2017 09:27:27 -0400

On Fri, Aug 18, 2017 at 10:43 PM, Anna Vernon <lappala.anna@...24...> wrote:
dear LAMMPS users,

please find attached two table files--  table fene original is just the tabulated version of the original FENE potential, and the table_FENE one is a shifted potential with a minimum at 1.12246

The problem is, although the files are almost identical (the minimum is just shifted, the original FENE file runs, and the other one does not, and I am more then puzzled about this... 
both are results of bond_write command.
The "broken" potential goes up to 4 steps and crashes as a result of a lost bond. I would appreciate any input!
many thanks,

​​actually, both files look bogus to me.​

​there is no suitable information here to track this down.




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

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