This commit is contained in:
Axel Kohlmeyer
2022-03-30 03:32:26 -04:00
parent b92d117524
commit ff3ac64b7e

View File

@ -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
benchmark) but slower in others (e.g. Lennard Jones benchmark). The
copy between different memory layouts is done out of place and
therefore doubles the memory overhead of the neigh list, which can be
signicant.
therefore doubles the memory overhead of the neigh list, which can
be significant.
The *newton* keyword sets the Newton flags for pairwise and bonded
interactions to *off* or *on*, the same as the :doc:`newton <newton>`