Hello,
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.
Thanks,
William French