3.10. Kspace stylesΒΆ
Classes that compute long-range Coulombic interactions via K-space representations (Ewald, PPPM) are derived from the KSpace class. New styles can be created to add new K-space options to LAMMPS.
Ewald.cpp is an example of computing K-space interactions.
Here is a brief description of methods you define in your new derived class. See kspace.h for details.
init |
initialize the calculation before a run |
setup |
computation before the first timestep of a run |
compute |
every-timestep computation |
memory_usage |
tally of memory usage |