LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] Does write_coeff work for bond_style hybrid?
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] Does write_coeff work for bond_style hybrid?


From: Tim Lodewyckx <timlodewyckx@...8...>
Date: Thu, 12 Apr 2018 09:00:16 +0000

Dear LAMMPS users,


Is it possible that the write_coeff command does not write bond coefficients if bond_style hybrid is used? I checked it and I can print any bond coefficient if I restrict myself to a single bond type:


bond_style harmonic

bond_coeff   bondID   K   r0


OR


bond_style morse

bond_coeff   bondID   D   alpha   r0


 If I use the same bond coefficients, but this time with bond_style hybrid, it doesn't print any bond coefficients.


bond_style hybrid harmonic morse

bond_coeff   bondID   harmonic   K   r0

bond_coeff   bondID   morse   D   alpha   r0


Does it mean these coefficients are zero when I use bond_style hybrid or are they just not written down by the write_coeff command?


Kind regards,

Tim