Kspace styles ============= 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 | +---------------+------------------------------------------------+