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Axel Kohlmeyer
2022-03-30 03:32:26 -04:00
parent b92d117524
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@ -473,8 +473,8 @@ will use a different (transposed) memory layout to build the neigh
list on GPUs. This can be faster in some cases (e.g. ReaxFF HNS list on GPUs. This can be faster in some cases (e.g. ReaxFF HNS
benchmark) but slower in others (e.g. Lennard Jones benchmark). The benchmark) but slower in others (e.g. Lennard Jones benchmark). The
copy between different memory layouts is done out of place and copy between different memory layouts is done out of place and
therefore doubles the memory overhead of the neigh list, which can be therefore doubles the memory overhead of the neigh list, which can
signicant. be significant.
The *newton* keyword sets the Newton flags for pairwise and bonded The *newton* keyword sets the Newton flags for pairwise and bonded
interactions to *off* or *on*, the same as the :doc:`newton <newton>` interactions to *off* or *on*, the same as the :doc:`newton <newton>`