Does write_coeff work for bond_style hybrid?

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1

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

2

Dear LAMMPS users,

Is it possible that the write_coeff command does not write bond coefficients
if bond_style hybrid is used?

no. hybrid styles cannot produce Coeff output.
write_coeff uses internally the same functionality as write_data, so
all restrictions with respect to coeff sections that apply to
write_data also apply to write_coeff.
since those depend on the individual force style, the restrictions are
usually listed with the corresponding force style documentation.

axel.