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(parent: 58a2331) | patch
minor speed-up and code clean-up in nbnxn kernels
authorBerk Hess <hess@kth.se>
Wed, 2 Jan 2013 10:42:50 +0000 (11:42 +0100)
committerBerk Hess <hess@kth.se>
Wed, 2 Jan 2013 21:48:12 +0000 (22:48 +0100)
commit9dab672d54d67f052afbe07fd4544a05810ab82c
tree7e523359d5c2ce2e2c089c16379153443bc7ad6etree | snapshot
parent58a233156229163047d6459d104a2fcfebf8c4edcommit | diff
minor speed-up and code clean-up in nbnxn kernels

Clusters without LJ now use the half-LJ instead of the full-LJ
plus Coulomb kernels. This gives a few percent speed-up for water.
Also updated some kernel comments and macros.

Change-Id: Ifa6072561a7042d9d0602ec7d84bc667361951e4
include/types/nbnxn_pairlist.h diff | blob | history
src/mdlib/forcerec.c diff | blob | history
src/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h diff | blob | history
src/mdlib/nbnxn_kernels/nbnxn_kernel_simd_2xnn_outer.h diff | blob | history
src/mdlib/nbnxn_kernels/nbnxn_kernel_simd_4xn_outer.h diff | blob | history
src/mdlib/nbnxn_search.c diff | blob | history
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