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2019-12-16	Szilárd Páll	Fix the GPU bonded stream with 1 PP + 1 PME rank	commit \| commitdiff \| tree
2019-10-02	Carsten Kutzner	Update the www link to the Doxygen documentation in...	commit \| commitdiff \| tree
2019-10-01	Paul Bauer	Fix chain ID handling in make_ndx	commit \| commitdiff \| tree
2019-09-27	Mark Abraham	Fix gro file output with index groups	commit \| commitdiff \| tree
2019-09-22	Christoph Junghans	workaround for rhel bug #1749463, cmake bug #18349	commit \| commitdiff \| tree
2019-08-02	yongwangCPH	Solve issue with demux.pl	commit \| commitdiff \| tree
2019-07-09	David van der Spoel	Fixed small bug in gmx anaeig	commit \| commitdiff \| tree
2019-07-02	Mark Abraham	Clarify wording of release notes	commit \| commitdiff \| tree
2019-06-19	Szilárd Páll	Disable PME GPU on Apple OpenCL	commit \| commitdiff \| tree
2019-06-11	Mark Abraham	Initialize all of gmx_domdec_comm_t	commit \| commitdiff \| tree
2019-06-11	Paul Bauer	Fix residue and molecule indexing in selections	commit \| commitdiff \| tree
2019-06-11	Berk Hess	Allow AWH geometry 'direction' to be periodic	commit \| commitdiff \| tree
2019-06-11	Paul Bauer	Add check for too many grid points in hbond	commit \| commitdiff \| tree
2019-06-05	Berk Hess	Fix reference SIMD memory alignment	commit \| commitdiff \| tree
2019-05-29	Berk Hess	Fix missing intermolecular interactions with DD	commit \| commitdiff \| tree
2019-05-23	Berk Hess	Fix SHAKE dH/dlambda contributions	commit \| commitdiff \| tree
2019-05-20	Mark Abraham	Fix equation typo	commit \| commitdiff \| tree
2019-05-07	Mark Abraham	Add an example of using an MPI wrapper compiler	commit \| commitdiff \| tree
2019-04-16	Paul Bauer	Version 2019.2	commit \| commitdiff \| tree
2019-04-15	Berk Hess	Fix pdb-related issues	commit \| commitdiff \| tree
2019-04-13	Mark Abraham	Fix self-consistency tests of hwloc data structures	commit \| commitdiff \| tree
2019-04-12	Mark Abraham	Improve warning messages about duplicate definitions	commit \| commitdiff \| tree
2019-04-05	David van der Spoel	Fixed manual for dihedral restraints.	commit \| commitdiff \| tree
2019-04-05	Szilárd Páll	Revert "Temporarily disable ARM HPC compiler in post...	commit \| commitdiff \| tree
2019-04-02	Szilárd Páll	Temporarily disable ARM HPC compiler in post-submit	commit \| commitdiff \| tree
2019-03-28	Szilárd Páll	Better document GMX_OPENMP_MAX_THREADS	commit \| commitdiff \| tree
2019-03-19	Mark Abraham	Prevented FFTW build errors with clang and AVX-512	commit \| commitdiff \| tree
2019-03-13	Mark Abraham	Provide reminder of which nvcc is in use	commit \| commitdiff \| tree
2019-03-11	Berk Hess	Add grompp warning with use of GROMOS FF	commit \| commitdiff \| tree
2019-02-27	Jukka Maatta	Make OpenCL dummyKernel to require a input parameter	commit \| commitdiff \| tree
2019-02-26	Mark Abraham	Add new line to trjconv notice to users	commit \| commitdiff \| tree
2019-02-20	Berk Hess	Fix mass Delta H double counting	commit \| commitdiff \| tree
2019-02-20	Berk Hess	Fix incorrect LJ repulsion force switching on GPUs	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Fix release notes formatting	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Fix tune_pme	commit \| commitdiff \| tree
2019-02-13	Mark Abraham	Improved electric-field docs	commit \| commitdiff \| tree
2019-02-13	Szilárd Páll	Disable instruction fusion on Power8	commit \| commitdiff \| tree
2019-02-13	Paul Bauer	Move simulated tempering default setting	commit \| commitdiff \| tree
2019-02-09	Berk Hess	Disallow rerun with perturbed masses or constraints	commit \| commitdiff \| tree
2019-02-06	Berk Hess	Fix segfault with EM, DD and group scheme	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Fix release notes issue links	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Fix release notes issue links	commit \| commitdiff \| tree
2019-01-28	Mark Abraham	Stop trying to check nvcc on Windows	commit \| commitdiff \| tree
2019-01-24	Paul Bauer	Change gcov to run on bs-mic	commit \| commitdiff \| tree
2019-01-22	Christoph Junghans	gmxManageLmfit.cmake: enforce usage of 7.0	commit \| commitdiff \| tree
2019-01-21	Szilárd Páll	Add CUDA CC 7.5 (Turing) support with nvcc	commit \| commitdiff \| tree
2019-01-16	Mark Abraham	Migrate test configuration off bs_mac	commit \| commitdiff \| tree
2019-01-11	Mark Abraham	Fix typo in release notes	commit \| commitdiff \| tree
2019-01-10	Mark Abraham	Add more checks for division by zero	commit \| commitdiff \| tree
2019-01-09	Berk Hess	Fix gcc-8 release warnings in tng_io	commit \| commitdiff \| tree
2019-01-04	Szilárd Páll	Fix formatting warning	commit \| commitdiff \| tree
2019-01-04	Christoph Junghans	gmxManageLmfit.cmake: enforce usage of 7.0	commit \| commitdiff \| tree
2018-12-22	Paul Bauer	Fix mdrun -nb GPU on non-gpu builds	commit \| commitdiff \| tree
2018-12-22	Mark Abraham	Fix unused parameter warning	commit \| commitdiff \| tree
2018-12-22	Aleksei Iupinov	Add a sanity check for OpenCL devices	commit \| commitdiff \| tree
2018-12-22	Jiannan Liu	Missing factor of 2 in cos-acceleration	commit \| commitdiff \| tree
2018-12-11	Paul Bauer	Properly check for MSVC in build script	commit \| commitdiff \| tree
2018-12-11	Szilárd Páll	Tweak the bonded GPU energy copy/wait operations	commit \| commitdiff \| tree
2018-12-11	Berk Hess	Fix update groups with 2D/3D DLB	commit \| commitdiff \| tree
2018-12-11	Berk Hess	Make large PME grids work on GPU	commit \| commitdiff \| tree
2018-12-11	Berk Hess	Document mdrun mdp option modification	commit \| commitdiff \| tree
2018-12-10	Pascal Merz	Failproof signal conversion	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Make release notes html only	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Change toctree depth in PDF manual	commit \| commitdiff \| tree
2018-12-09	Mark Abraham	Fix POWER8 and POWER9 build	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	More fixes for ImageMagick test script	commit \| commitdiff \| tree
2018-11-29	Magnus Lundborg	Make pull with COM from previous step work with MPI	commit \| commitdiff \| tree
2018-11-29	Mark Abraham	Removed erronous manual variable handling	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Fix reference manual image sizes	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Fix reference manual doc build	commit \| commitdiff \| tree
2018-11-28	Paul Bauer	Fix gcc-8 warnings	commit \| commitdiff \| tree
2018-11-28	Mark Abraham	Introduce GpuBonded	commit \| commitdiff \| tree
2018-11-27	Szilárd Páll	Add ARMPL support to admin script	commit \| commitdiff \| tree
2018-11-27	Szilárd Páll	Add tweaks to support ARMPL for FFTs	commit \| commitdiff \| tree
2018-11-26	Paul Bauer	Fix newline printing in -v output	commit \| commitdiff \| tree
2018-11-20	Mark Abraham	Partial revert of "Fix inefficient shell minimization"	commit \| commitdiff \| tree
2018-11-15	Paul Bauer	Refine FindSphinx	commit \| commitdiff \| tree
2018-11-15	M. Eric Irrgang	Note GMX_ENABLE_CCACHE in build system docs.	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Fix checkpoint restart of tpr with infinite step count	commit \| commitdiff \| tree
2018-11-15	Paul Bauer	Rework GMXAPI tests	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Relax arbitrary tolerance on rerun test	commit \| commitdiff \| tree
2018-11-14	Mark Abraham	Fix OpenCL mdrun from installed path	commit \| commitdiff \| tree
2018-11-11	Viacheslav Bolnykh	Fixing segfault in parallel MiMiC QM/MM runs	commit \| commitdiff \| tree
2018-11-11	David van der Spoel	Fix entropy calculation in gmx anaeig	commit \| commitdiff \| tree
2018-11-09	David van der Spoel	Change get_atom_index to allow multiple molecules.	commit \| commitdiff \| tree
2018-11-08	Paul Bauer	Issue fatal error if checkpoint does not suit the .tpr	commit \| commitdiff \| tree
2018-11-08	Mark Abraham	Pragma warning suppressins for icc+windows	commit \| commitdiff \| tree
2018-11-07	Paul Bauer	Mark new cmake variables advanced	commit \| commitdiff \| tree
2018-11-07	Szilárd Páll	Eliminate macro that expands to variable in PME GPU	commit \| commitdiff \| tree
2018-11-07	Szilárd Páll	Ensure minimum exec width of the PME OpenCL kernels	commit \| commitdiff \| tree
2018-11-07	Paul Bauer	Add global directory for simulation test inputs	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	Fix wrong branch for regressiontests	commit \| commitdiff \| tree
2018-11-05	Mark Abraham	Make PME OpenCL enabled only for AMD devices	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Make QM/MM code always compile	commit \| commitdiff \| tree
2018-11-05	Alexey Shvetsov	Disable -Wno-missing-prototypes	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Give more info when trying to build manual	commit \| commitdiff \| tree
2018-11-01	Mark Abraham	Disable ccache by default	commit \| commitdiff \| tree
2018-10-31	Berk Hess	Limit auto assignment of bondeds to GPUs	commit \| commitdiff \| tree
2018-10-31	Jonathan Vincent	Add CUDA bonded kernels	commit \| commitdiff \| tree
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