# fix drude command ## Syntax fix ID group-ID drude flag1 flag2 ... flagN - ID, group-ID are documented in [fix](fix) command - drude = style name of this fix command - flag1 flag2 \... flagN = Drude flag for each atom type (1 to N) in the system ## Examples ``` LAMMPS fix 1 all drude 1 1 0 1 0 2 2 2 fix 1 all drude C C N C N D D D ``` Example input scripts available: examples/PACKAGES/drude ## 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](Howto_drude). Polarizable models in LAMMPS are described on the [Howto polarizable](Howto_polarizable) doc page. The three possible types can be designated with an integer (0,1,2) or capital letter (N,C,D): - 0 or N = non-polarizable atom (not part of Drude model) - 1 or C = Drude core - 2 or D = Drude electron ## Restrictions This fix should be invoked before any other commands that implement the Drude oscillator model, such as [fix langevin/drude](fix_langevin_drude), [fix tgnvt/drude](fix_tgnh_drude), [fix drude/transform](fix_drude_transform), [compute temp/drude](compute_temp_drude), [pair_style thole](pair_thole). ## Related commands [fix langevin/drude](fix_langevin_drude), [fix tgnvt/drude](fix_tgnh_drude), [fix drude/transform](fix_drude_transform), [compute temp/drude](compute_temp_drude), [pair_style thole](pair_thole) ## Default none