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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
2017-08-01	Mark Abraham	Introduced Mdrunner high-level class	commit \| commitdiff \| tree
2017-07-28	David van der Spoel	Added unit-test for orientation restraints output.	commit \| commitdiff \| tree
2017-07-27	Mark Abraham	Enhance cmake and releng handling of GMX_USE_RDTSCP	commit \| commitdiff \| tree
2017-07-27	Szilárd Páll	Inform users about the end of run DLB state	commit \| commitdiff \| tree
2017-07-19	David van der Spoel	Removed unnecessary static declarations for command...	commit \| commitdiff \| tree
2017-07-14	Mark Abraham	Implemented grompp -po for options-style mdp handling	commit \| commitdiff \| tree
2017-07-14	Mark Abraham	Clean up cmake build host detection	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	Clean up gmx_mdrun()	commit \| commitdiff \| tree
2017-07-13	Mark Abraham	Cleaned up mdrunner_start_threads	commit \| commitdiff \| tree
2017-07-11	Roland Schulz	PME-gather: make variables local and const	commit \| commitdiff \| tree
2017-07-11	Teemu Murtola	Support scoped key-value tree transform rules	commit \| commitdiff \| tree
2017-07-07	Mark Abraham	Refactor error handling in init_gpu	commit \| commitdiff \| tree
2017-07-04	Mark Abraham	Clean up pick_nbnxn_resources	commit \| commitdiff \| tree
2017-07-01	Mark Abraham	Cleaned up GPU emulation logic	commit \| commitdiff \| tree
2017-06-30	Teemu Murtola	Fix boolean serialization	commit \| commitdiff \| tree
2017-06-30	Teemu Murtola	Extend key-value tree comparison and tests	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Cleaned up high-level boolean variable naming	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Fix specification for gcc-6	commit \| commitdiff \| tree
2017-06-28	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-06-27	Teemu Murtola	Do not use conf-man.py for non-manpage doc builds	commit \| commitdiff \| tree
2017-06-27	Mark Abraham	Minor improvements to test configs	commit \| commitdiff \| tree
2017-06-26	Erik Lindahl	Fix ARM NEON simd debug builds	commit \| commitdiff \| tree
2017-06-26	Szilárd Páll	Add ARM_NEON_ASIMD post-submit test	commit \| commitdiff \| tree
2017-06-26	Jiri Kraus	Updated application clock handling on Pascal+ GPUs	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Consolidated logic for choosing number of thread-MPI...	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Replace misnamed nbnxn_gpu_acceleration_supported	commit \| commitdiff \| tree
2017-06-22	Mark Abraham	Consolidate and fix logic for mdrun -nb and -gpuid	commit \| commitdiff \| tree
2017-06-21	Szilárd Páll	Re-enable lost DD warning + minor code modernization	commit \| commitdiff \| tree
2017-06-21	Mark Abraham	Reform ngpu variable	commit \| commitdiff \| tree
2017-06-21	Mark Abraham	Remove bUserSetGpuIds field	commit \| commitdiff \| tree
2017-06-12	Berk Hess	Disable PME tuning with the group scheme	commit \| commitdiff \| tree
2017-06-12	Mark Abraham	Move gmx_parse_gpu_id out of checking function	commit \| commitdiff \| tree
2017-06-12	Aleksei Iupinov	Store a physical node communicator in t_commrec	commit \| commitdiff \| tree
2017-06-11	Magnus Lundborg	Updated TNG to version 1.8	commit \| commitdiff \| tree
2017-05-31	Mark Abraham	New quote	commit \| commitdiff \| tree
2017-05-29	Teemu Murtola	Avoid some incorrect behavior with gmx solvate	commit \| commitdiff \| tree
2017-05-29	Teemu Murtola	Remove pbcutil <-> mdtypes cyclic dependency	commit \| commitdiff \| tree
2017-05-29	Vedran Miletić	Standardize use of \|Gromacs\| in reST docs	commit \| commitdiff \| tree
2017-05-26	Mark Abraham	Test invsixthroot function as intended	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Updated use of compiler specifiers in testing	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Updated use of gcc-5 specifiers	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Update clang static analyzer slave to use version 4	commit \| commitdiff \| tree
2017-05-14	Mark Abraham	Update clang-4	commit \| commitdiff \| tree
2017-05-14	Justin Lemkul	Clarifications to editconf help text.	commit \| commitdiff \| tree
2017-05-14	Justin Lemkul	Clarifications to editconf help text.	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Fix formatting of MKL cmake docs	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Cleaned up memory usage in gmx traj and trjconv	commit \| commitdiff \| tree
2017-04-19	Berk Hess	Fix unused SIMD PME table kernel	commit \| commitdiff \| tree
2017-04-17	Mark Abraham	Minor change to GPU compatibility reporting handling	commit \| commitdiff \| tree
2017-04-17	Mark Abraham	Propose a post-submit matrix	commit \| commitdiff \| tree
2017-04-17	Teemu Murtola	Consistent approach for whole-program tests	commit \| commitdiff \| tree
2017-03-31	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-03-22	Mark Abraham	Add section to user guide for managing simulations	commit \| commitdiff \| tree
2017-03-17	M. Eric Irrgang	Add an extra verbose target for docs	commit \| commitdiff \| tree
2017-03-16	Szilárd Páll	Print code of unknown OpenCL error	commit \| commitdiff \| tree
2017-03-14	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-03-14	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Version 2016.3	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Modernize write_inpfile	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Modernize read_inpfile	commit \| commitdiff \| tree
2017-03-13	Ake Sandgren	Fix tune_pme detection of GPU support	commit \| commitdiff \| tree
2017-03-13	Ake Sandgren	Fix spacing in tune_pme call to thread-mpi mdrun	commit \| commitdiff \| tree
2017-03-09	Szilárd Páll	Fix mdrun hanging upon exit with sep PME ranks	commit \| commitdiff \| tree
2017-03-07	Mark Abraham	Fix minor issues in gmx traj -av -af	commit \| commitdiff \| tree
2017-03-04	Teemu Murtola	Remove MDModules use from mdlib	commit \| commitdiff \| tree
2017-03-04	David van der Spoel	Removes rogue printing to xvg file in gmx mindist	commit \| commitdiff \| tree
2017-03-04	Teemu Murtola	Split md module facets to different interfaces	commit \| commitdiff \| tree
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