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Kokkos ReaxFF tweaks

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Stan Moore
2020-11-16 15:49:37 -07:00
parent 64910d636c
commit 6ff269b1eb
3 changed files with 2 additions and 6 deletions
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doc/src/package.rst
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@ -448,8 +448,7 @@ does not require atomic operations in the calculation of pair forces. For
that reason, *full* is the default setting for GPUs. However, when
running on CPUs, a *half* neighbor list is the default because it are
often faster, just as it is for non-accelerated pair styles. Similarly,
the *neigh/qeq* keyword determines how neighbor lists are built for :doc:`fix qeq/reax/kk <fix_qeq_reax>`. If not explicitly set, the value of
*neigh/qeq* will match *neigh*\ .
the *neigh/qeq* keyword determines how neighbor lists are built for :doc:`fix qeq/reax/kk <fix_qeq_reax>`.
If the *neigh/thread* keyword is set to *off*\ , then the KOKKOS package
threads only over atoms. However, for small systems, this may not expose