45 lines
1.5 KiB
Plaintext
45 lines
1.5 KiB
Plaintext
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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fix scafacos command :h3
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[Syntax:]
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fix ID group-ID scafacos solver tol_type tolerance :pre
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ID, group-ID are documented in "fix"_fix.html command
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scafacos = style name of this fix command
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solver = NULL or name of solver for electro-statics computation :ul
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tol_type = NULL or one of (energy, energy_rel, field, field_rel, potential, potential_rel)
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tolerance = only of tol_type is given, value of tolerance
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[Examples:]
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fix 1 all scafacos fmm
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fix 1 all scafacos p3m field 0.001
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[Description:]
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This fix style is a wrapper for the Coulomb solver library ScaFaCoS,
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which provides a selection of different solvers for the compuation
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of electro-static interaction. If you download and build ScaFaCoS,
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it can be called as libray by LAMMPS via this fix, which allows the
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selection of a solver as well as setting the tolerance of a chosen
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parameter (if compatible with the chosen solver).
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ScaFaCoS was developed by a consortium of German research facilities
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with a BMBF (German Ministry of Science and Education) funded project
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in 2009-2012. Participants of the consortium were the Universities of
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Bonn, Chemnitz, Stuttgart, and Wuppertal as well as the
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Forschungszentrum Juelich.
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The library is available at "http://scafacos.de" or can be cloned
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from the git-repository "git://github.com/scafacos/scafacos.git".
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:line
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