Dear Steve, lammps users,

I just want to clarify myself regarding the rate at which the heat is inserted or taken out from the simulation. Lets say I use the following commands ( in real units)

timestep 0.5 #(fs)

fix 1 heat_part 20 10.0

Does it mean

A) it injects 20 kcal/mol (kcal/mol being “energy unit” in real units) every 10 steps (which is 20 kcal/mol in 5 femtoseconds)? OR

B) it injects 20kcal/mol per fs as it is listed in documentation (energy/time units), so it actually injects 100 kcal/mol every 10 steps ( which is 100 kcal/mol in 5 femtoseconds)? If it is true, does it mean that it scales the eflux (which is 20 here) every 10 steps so that the net is 20kcal/mol/fs.

From the documentation it seems like second option is true. Please let me know.

Quick response will be highly appreciated.

Regards,

Vikas