[lammps-users] Bond_Style Hybrid with Tables


Is it possible to use a tabulated potential in conjunction with the Bond_Style Hybrid option? I’ve been trying to do so with the following sequence of commands:

bond_style hybrid harmonic table linear 1000
bond_coeff 1 harmonic 20.074 1.379 #C-C
bond_coeff 5 table Morse_Table.lammps Bridge/eV

Morse_Table.lammps is my tabulated file, which works fine as a stand alone potential in a non-hybrid context.

Using this sequence of commands gives me…ERROR: Invalid bond style

When I try moving the “linear 1000” keywords to the bond_coeff statement I get… ERROR: Illegal bond_coeff command

Removing the two keywords altogether results in a bus error.

Is using a tabulated bond potential with other standard potentials not possible in LAMMPS? If it is possible, what is the correct syntax?

I’m using the 31 May 2010 release.


William French

This required some extra logic in bond_style hybrid that wasn't there.
It should be working now - please try the 1Jul10 patch.