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


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,