Syntax:
fix ID group-ID drude flag1 flag2 ... flagN
Examples:
fix 1 all drude 1 1 0 1 0 2 2 2 fix 1 all drude C C N C N D D D
Description:
Assign each atom type in the system to be one of 3 kinds of atoms within the Drude polarization model. This fix is designed to be used with the thermalized Drude oscillator model. Polarizable models in LAMMPS are described in this Section.
The three possible types can be designated with an integer (0,1,2) or capital letter (N,C,D):
Restrictions:
This fix should be invoked before any other commands that implement the Drude oscillator model, such as fix langevin/drude, fix drude/transform, compute temp/drude, pair_style thole.
Related commands:
fix langevin/drude, fix drude/transform, compute temp/drude, pair_style thole
Default: None