diff --git a/doc/src/package.txt b/doc/src/package.txt index e79c0fdce1ac532337ec6b7aa230f0d37aa9d284..a0894b3128d7cf2719a40919b2379ec4b2c21645 100644 --- a/doc/src/package.txt +++ b/doc/src/package.txt @@ -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 @@ -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, newton = -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, neigh/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.