about long-range solver pressure

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#1

I’m running a simulation with a non-neutral medium. I was wondering if the pressure calculated in LAMMPS with ewald summation is just the virial term (of the short range interaction), or if the long range energy of Coulomb is added as well, since I am getting strange results (like negative pressure for systems highly charged, where a debye screening gives the expected positive pressure).

For further reference, I found this paper that talks about the subject

Hummer, G. et al J. Chem. Phys. 109, 2791 (1998)

http://scitation.aip.org/content/aip/journal/jcp/109/7/10.1063/1.476834

I don’t know if this feature was added.

Thanks in advance!

Pablo

#2

All the long-range solvers add a long-range contribution
to the virial. See the doc page for compute pressure.

Steve