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Modify_kspace.txt 770 B
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Documentation"_ld - "LAMMPS Commands"_lc :c

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Kspace styles :h3

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 1st timestep of a run
compute: every-timestep computation
memory_usage: tally of memory usage :tb(s=:)