This package provides a kspace style which is a wrapper for the
ScaFaCoS long-range Coulomb solver library. The library provides
a selection of different long-range Coulomb solvers, which can be
used to calculate the Coloumic forces between charged particles.
More information about the ScaFaCoS library can be found on this
web site: http://scafacos.de. ScaFaCoS was designed and implemented
by a consortium of German universities (Bonn, Chemnitz, Stuttgart,
Wuppertal and others) and the Juelich Supercomputing Centre
(Forschungszentrum Juelich).
The use of the scafacos kspace requires the download and installation
of the library on the system. This can be done in lib/scafacos or
elsewhere in your system. Details of the download and build process
for ScaFaCoS are given in the lib/scafacos/README file and it can also
be done via the make lib-user-scafacos command from the LAMMPS
source directory.
Once you have successfully built LAMMPS with this package and the
ScaFaCoS library, you can test it using an input file from the
examples scafacos dir, e.g.:
lmp_serial -in lammps/examples/USER/scafacos/in.scafacos.fmm
For questions about ScaFaCoS, please contact:
r.halver@fz-juelich.de or g.sutmann@fz-juelich.de
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