Add SIMD for AWH
commita83aaefedaf27140af420599183cbb2a98300be3
authorBerk Hess <hess@kth.se>
Sun, 12 Nov 2017 12:10:54 +0000 (12 13:10 +0100)
committerErik Lindahl <erik.lindahl@gmail.com>
Sun, 19 Nov 2017 23:18:07 +0000 (20 00:18 +0100)
tree92591f40cb51441fb5497f57969c76e785711961
parent7cc46c52b02ac3a1b9cff39eddbc5fef491ad868
Add SIMD for AWH

When using the convolved potential with AWH, a large number of double
precision exp() functions need to be evaluated at every step. These
are now SIMD accelerated.

Change-Id: If1e3a916469c4fd7e26740123009ae59b7927667
docs/user-guide/mdp-options.rst
src/gromacs/awh/bias.cpp
src/gromacs/awh/bias.h
src/gromacs/awh/biasstate.cpp
src/gromacs/awh/biasstate.h
src/gromacs/awh/coordstate.cpp
src/gromacs/awh/coordstate.h