Hi, steve,
How does LAMMPS deal with the contribution of long range Coulombic interaction to the calculation of stress (pressure) of the system when using Ewald summation?
Chen
Hi, steve,
How does LAMMPS deal with the contribution of long range Coulombic interaction to the calculation of stress (pressure) of the system when using Ewald summation?
Chen
It adds it in. See the ewald.cpp and pppm.cpp files for
the details.
Steve