26 lines
1.2 KiB
Plaintext
26 lines
1.2 KiB
Plaintext
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/PACKAGES/scafacos/in.scafacos.fmm
|
|
|
|
For questions about ScaFaCoS, please contact:
|
|
r.halver@fz-juelich.de or g.sutmann@fz-juelich.de
|