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2017-10-30	Aleksei Iupinov	Fix reference mode build unused function warnings	commit \| commitdiff \| tree
2017-10-30	Berk Hess	Remove unused sign parameter from dih_angle()	commit \| commitdiff \| tree
2017-10-30	Roland Schulz	ArrayRef: Replace fromVector with subArray	commit \| commitdiff \| tree
2017-10-30	David van der Spoel	Added option -water tips3p to pdb2gmx.	commit \| commitdiff \| tree
2017-10-30	Aleksei Iupinov	Bring PME GPU/CUDA internal structure names to CamelCase	commit \| commitdiff \| tree
2017-10-27	Mark Abraham	Fix hw detection more	commit \| commitdiff \| tree
2017-10-26	Mark Abraham	New quote	commit \| commitdiff \| tree
2017-10-20	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-10-20	Berk Hess	Fix warning for confout with periodic molecules	commit \| commitdiff \| tree
2017-10-16	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-10-15	Berk Hess	Improve vsite parallel checking	commit \| commitdiff \| tree
2017-10-13	Aleksei Iupinov	Relax PME spline computation tolerance in double precision...	commit \| commitdiff \| tree
2017-10-13	Mark Abraham	Update tests for C++11 compiler and standard library	commit \| commitdiff \| tree
2017-10-13	Roland Schulz	Specialize ArrayRef for SimdReal	commit \| commitdiff \| tree
2017-10-11	Mark Abraham	Introduced header for communication to/from PME ranks	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	Fix clang warnings for PME CUDA kernels	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	Relax PME solving test complex grid tolerance	commit \| commitdiff \| tree
2017-10-11	Mark Abraham	Cleaned up ewaldcoeff for PME-only ranks	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME solving - CUDA kernel + unit tests	commit \| commitdiff \| tree
2017-10-11	Paul Bauer	Change to modules for build of web documentation	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME force gathering - CUDA kernel + unit tests	commit \| commitdiff \| tree
2017-10-11	Aleksei Iupinov	PME spline+spread CUDA kernel and unit tests	commit \| commitdiff \| tree
2017-10-11	Mark Abraham	Use clang-5 in Jenkins	commit \| commitdiff \| tree
2017-10-11	Berk Hess	Disable ARM Neon native rsqrt iteration	commit \| commitdiff \| tree
2017-10-09	Aleksei Iupinov	PME GPU/CUDA data framework.	commit \| commitdiff \| tree
2017-10-07	Mark Abraham	Tell cppcheck that .cpp and .cu files are c++	commit \| commitdiff \| tree
2017-10-07	Roland Schulz	Refactor load+SimdLoad*ProxyInternal to reduce duplication	commit \| commitdiff \| tree
2017-10-06	Berk Hess	Add SIMD intrinsics version of simple update	commit \| commitdiff \| tree
2017-10-06	Berk Hess	Improve PaddedRVecVector resizing	commit \| commitdiff \| tree
2017-10-06	Aleksei Iupinov	Add timing accumulation capability into GpuRegionTimer	commit \| commitdiff \| tree
2017-10-05	Berk Hess	Make SIMD ambiguous test work with float/double only	commit \| commitdiff \| tree
2017-10-05	Szilárd Páll	Fix pair list array assertion	commit \| commitdiff \| tree
2017-10-05	Szilárd Páll	Avoid -Wmissing-prototypes warnings in clang CUDA builds	commit \| commitdiff \| tree
2017-10-05	Roland Schulz	Fix that exp(load(x)) is ambiguous	commit \| commitdiff \| tree
2017-10-04	Mark Abraham	Enable group-scheme SIMD with GMX_SIMD=AVX2_128	commit \| commitdiff \| tree
2017-10-04	Aleksei Iupinov	Add GpuRegionTimer class	commit \| commitdiff \| tree
2017-10-03	Mark Abraham	Introduce and use AlignedAllocationPolicy	commit \| commitdiff \| tree
2017-10-02	Berk Hess	Remove hybrid gpu+cpu nonbonded mode	commit \| commitdiff \| tree
2017-09-26	Aleksei Iupinov	Move CUDA texture setup code from NB CUDA module to...	commit \| commitdiff \| tree
2017-09-17	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-09-15	Berk Hess	Remove nb-parameters from t_forcerec	commit \| commitdiff \| tree
2017-09-15	Mark Abraham	Express intent of matrix release build types explicitly	commit \| commitdiff \| tree
2017-09-15	Mark Abraham	Bumped patch version for next release	commit \| commitdiff \| tree
2017-09-15	Mark Abraham	Version 2016.4	commit \| commitdiff \| tree
2017-09-14	Aleksei Iupinov	Fix non-SIMD build failing	commit \| commitdiff \| tree
2017-09-14	Szilárd Páll	CUDA 9/Volta support for the pruning kernel	commit \| commitdiff \| tree
2017-09-14	Mark Abraham	Form taskassignment module	commit \| commitdiff \| tree
2017-09-14	Mark Abraham	Fix compat module definition	commit \| commitdiff \| tree
2017-09-12	Erik Lindahl	Improve accuracy of SIMD exp for small args	commit \| commitdiff \| tree
2017-09-12	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-09-12	Berk Hess	Do not pass state to init_replica_exchange	commit \| commitdiff \| tree
2017-09-11	Szilárd Páll	NVIDIA Volta performance tweaks	commit \| commitdiff \| tree
2017-09-11	Berk Hess	Fix PBC bugs in the swap code	commit \| commitdiff \| tree
2017-09-07	Mark Abraham	Introduce type-safe GPU emulation variables	commit \| commitdiff \| tree
2017-09-07	Roland Schulz	Add isIntegralConstant type trait	commit \| commitdiff \| tree
2017-09-07	Mark Abraham	Enable group-scheme SIMD kernels on recent AVX extensions	commit \| commitdiff \| tree
2017-09-06	Roland Schulz	PME-gather: Use templated functor instead of preprocessor	commit \| commitdiff \| tree
2017-09-05	Christoph Junghans	Supported quiet trajectory-handling I/O	commit \| commitdiff \| tree
2017-09-05	Mark Abraham	Fixes for Solaris	commit \| commitdiff \| tree
2017-09-05	Mark Abraham	Fix use of GPU information for thread-MPI setup	commit \| commitdiff \| tree
2017-09-04	Berk Hess	Fix two nbnxn search indexing bugs	commit \| commitdiff \| tree
2017-09-04	Roland Schulz	Fix accuracy for cvtDouble2Float/cprod	commit \| commitdiff \| tree
2017-09-04	Berk Hess	Consolidate architecture booleans	commit \| commitdiff \| tree
2017-09-03	Mark Abraham	Fix compiler flags for using MKL	commit \| commitdiff \| tree
2017-09-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-08-25	Mark Abraham	Fix flat-bottomed position restraints with multiple...	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Run GPU detection even for mdrun -nb cpu	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Fixed thread-MPI with non-default -npme	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Fix missing declaration of GMX_UNUSED_VALUE	commit \| commitdiff \| tree
2017-08-22	Aleksei Iupinov	Separate PME spread and gather wallcycle counters	commit \| commitdiff \| tree
2017-08-22	Berk Hess	Enable dynamic pair list pruning	commit \| commitdiff \| tree
2017-08-22	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-08-21	Teemu Murtola	Simple union-find structure	commit \| commitdiff \| tree
2017-08-21	Mark Abraham	Moved increase_nstlist() to nbnxn_tuning.h	commit \| commitdiff \| tree
2017-08-21	Mark Abraham	Fix compilation issues with ARM SIMD	commit \| commitdiff \| tree
2017-08-21	Szilárd Páll	Add OpenCL pruning kernels and launch/timing logic	commit \| commitdiff \| tree
2017-08-18	Szilárd Páll	Improve awkward handling of GMX_CUDA_TARGET* help	commit \| commitdiff \| tree
2017-08-18	Vedran Miletić	Improve the "files not present" error message	commit \| commitdiff \| tree
2017-08-18	Szilárd Páll	Add CUDA pruning kernels and launch/timing logic	commit \| commitdiff \| tree
2017-08-18	Berk Hess	Add CPU reference and SIMD pruning kernels	commit \| commitdiff \| tree
2017-08-17	Mark Abraham	Replace consistency checking with assertion	commit \| commitdiff \| tree
2017-08-16	Berk Hess	Add dynamic pair-list pruning framework	commit \| commitdiff \| tree
2017-08-16	Berk Hess	Clean up nbnxn cluster pair addition code	commit \| commitdiff \| tree
2017-08-16	Mark Abraham	Parse user-supplied GPU task assignment only when needed	commit \| commitdiff \| tree
2017-08-15	David van der Spoel	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree
2017-08-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-08-15	Jiri Kraus	CUDA 9/Volta support for the nonbonded module	commit \| commitdiff \| tree
2017-08-15	Mark Abraham	Fix value of Ewald shift	commit \| commitdiff \| tree
2017-08-07	Mark Abraham	Fix include dependency for getenv	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Simplify resource-division efficiency check	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Decouple task assignment from task execution	commit \| commitdiff \| tree
2017-08-06	Mark Abraham	Removed unused host-side allocation code	commit \| commitdiff \| tree
2017-08-04	Mark Abraham	Stop using hwinfo_g for reporting code	commit \| commitdiff \| tree
2017-08-03	Mark Abraham	Removed unused include statements	commit \| commitdiff \| tree
2017-08-03	Berk Hess	Add check for nr of orientation restraints	commit \| commitdiff \| tree
2017-08-03	Berk Hess	Fix bugs with orientation restraints	commit \| commitdiff \| tree
2017-08-03	Carsten Kutzner	Added missing .mdp file documentation for the enforced...	commit \| commitdiff \| tree
2017-08-02	Berk Hess	Clean up matrix inversion	commit \| commitdiff \| tree
2017-08-02	Berk Hess	Fix orientation restraint reference	commit \| commitdiff \| tree
2017-08-02	David van der Spoel	Worked around missing OpenMP implementation in orires.	commit \| commitdiff \| tree
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