Hi
If the output of the property/atom command includes force from the electrostatic potential. I wonder if there is other command which just outputs the force on each atom excluding the long range force.
Fan Li
Hi
If the output of the property/atom command includes force from the
electrostatic potential. I wonder if there is other command which just
outputs the force on each atom excluding the long range force.
there isn't. there is only one force array for x, y, and z and all styles
that contribute to the force add their contribution to that.
you either have to modify LAMMPS (in many different places) or use rerun to
obtain the forces decomposed to their contributions.
also, there is very little meaning to look at kspace style contributions
and the corresponding short range coulomb interactions as their division is
rather arbitrary. only the sum of those has a significant meaning.
axel.
Hi Axel
If there is only one force array for x,y and z, and all styles contribute to the force add their contributions to that. I have another question.
Regarding the langevin thermostat, the manual says two additional forces, Ff and Fr, will be added to the particles. So according to your answer, it is my understanding that the contributions of the added terms would be added to the output as well if I use compute property/atom. Is that right?
Thanks
Fan Li
Hi Axel
If there is only one force array for x,y and z, and all styles contribute
to the force add their contributions to that. I have another question.Regarding the langevin thermostat, the manual says two additional forces,
Ff and Fr, will be added to the particles. So according to your answer, it
is my understanding that the contributions of the added terms would be
added to the output as well if I use compute property/atom. Is that right?
yes.