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multiscale
lammps
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fdc390ad
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fdc390ad
authored
8 years ago
by
Stan Moore
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Tweaking docs for Kokkos package
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doc/src/package.txt
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@@ -403,6 +403,7 @@ is the default setting. However, when running in MPI-only mode with 1
thread per MPI task, {half} neighbor lists will typically be faster,
just as it is for non-accelerated pair styles. Similarly, the {neigh/qeq}
keyword determines how neighbor lists are built for "fix qeq/reax/kk"_fix_qeq_reax.html.
If not explicitly set, the value of {neigh/qeq} will match {neigh}.
The {newton} keyword sets the Newton flags for pairwise and bonded
interactions to {off} or {on}, the same as the "newton"_newton.html
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@@ -573,9 +574,9 @@ is used. If it is not used, you must invoke the package intel
command in your input script or or via the "-pk intel" "command-line
switch"_Section_start.html#start_7.
For the KOKKOS package, the option defaults neigh = full, ne
wton =
off, binsize = 0.0, and comm = device. These settings
are made
automatically by the required "-k on" "command-line
For the KOKKOS package, the option defaults neigh = full, ne
igh/qeq
= full, newton =
off, binsize = 0.0, and comm = device. These settings
are made
automatically by the required "-k on" "command-line
switch"_Section_start.html#start_7. You can change them bu using the
package kokkos command in your input script or via the "-pk kokkos"
"command-line switch"_Section_start.html#start_7.
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