[lammps-users] Questions on ATC Package

Dear LAMMPS users,

I’m trying to use the ATC package to simulate laser-material interactions. I was hoping that someone can help me with my questions

  1. In the manual it says “Note coupling and post-processing can be combined in the same simulations using separate fixes.” How is that possible? If the hardy needs “fix nve” and the thermal coupling updates the positions of the atoms, wouldn’t using both at the same time will cause the twice integration of atoms ?
  2. In the manual it mentioned that the fix does not output anything, while in the example codes I see f_[] output. I noticed that two mean electron and phonon temp. but what about f_[1] and f_[3]? I could not find it in manual or example codes.
  3. The field values output for ATC in energy per unit volume, do they follow the lammps eV and A for energy and distance or it is similar to the input you provide (combination of Mass Length Time)?
    Thank you

As was already pointed out to you. please contact the USER-ATC developers (cc’d) for questions specific to USER-ATC.
Please keep in mind that USER-ATC is currently not actively maintained and thus most of the developers of that package have moved on or have to use their (limited) free time to respond.