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(parent: 16f9979) | patch
Fix nbnxn SIMD 2xNN PME tabulated kernel
authorBerk Hess <hess@kth.se>
Thu, 14 Sep 2017 14:34:35 +0000 (16:34 +0200)
committerBerk Hess <hess@kth.se>
Thu, 14 Sep 2017 14:34:35 +0000 (16:34 +0200)
commit12e9ea41a9cee3fe2ea844044d1d47bb30759b97
tree3ace531d8378dbb68db25d44b804ab080cd608ebtree | snapshot
parent16f9979fb325ca898e2d26b2ae0244908e761fb5commit | diff
Fix nbnxn SIMD 2xNN PME tabulated kernel

This kernel produced completety incorrect forces and slightly
incorrect energies.
This kernel was not (yet) selected by default in a 2016 release.

Fixes #2247

Change-Id: I297ad257932eaabe6cf84b17f34ad555921f48b0
src/gromacs/mdlib/nbnxn_kernels/simd_2xnn/nbnxn_kernel_simd_2xnn_inner.h diff | blob | history
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