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alexxy/gromacs.git
2016-05-12 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-05-12 Mark AbrahamGROMACS 2016 beta1 release commit | commitdiff | tree | snapshot
2016-05-12 Vedran MiletićRemove static function qualifier in OpenCL kernel utils commit | commitdiff | tree | snapshot
2016-05-11 James W. BarnettUse STRLEN for buf commit | commitdiff | tree | snapshot
2016-05-10 Erik LindahlFixed large file issue on 32-bit platforms commit | commitdiff | tree | snapshot
2016-05-10 Teemu MurtolaAdditional Jenkins documentation commit | commitdiff | tree | snapshot
2016-05-10 Mark AbrahamBump clang static analyzer to version 3.8 commit | commitdiff | tree | snapshot
2016-05-10 Mark AbrahamMinor update to sphinx dependency commit | commitdiff | tree | snapshot
2016-05-10 Teemu MurtolaInclude releng documentation to developer guide commit | commitdiff | tree | snapshot
2016-05-10 Erik LindahlFix precision loss in tabulated normal distribution commit | commitdiff | tree | snapshot
2016-05-10 Mark AbrahamFacilitate linking with libcxx commit | commitdiff | tree | snapshot
2016-05-10 Erik LindahlFlush streams when not writing newline character commit | commitdiff | tree | snapshot
2016-05-10 Berk HessOptimized the vsite threading commit | commitdiff | tree | snapshot
2016-05-10 Berk HessFix CUDA shmem bug commit | commitdiff | tree | snapshot
2016-05-10 Roland SchulzAdd OpenMP for functions limiting scaling commit | commitdiff | tree | snapshot
2016-05-10 Berk HessSupport cmap with QMMM commit | commitdiff | tree | snapshot
2016-05-09 Erik LindahlImproved description for GPU/CPU time ratio commit | commitdiff | tree | snapshot
2016-05-08 Mark AbrahamFixes for clang 3.7 on PowerPC commit | commitdiff | tree | snapshot
2016-05-08 James W. BarnettCorrect and clarify output units for fluct_props commit | commitdiff | tree | snapshot
2016-05-08 Erik LindahlFix Luzar/Chander literature reference in g_hbond commit | commitdiff | tree | snapshot
2016-05-08 Mark AbrahamFix constants, units and conversion factors commit | commitdiff | tree | snapshot
2016-05-08 David van der... Modify lmfit library to avoid clashes with other versions. commit | commitdiff | tree | snapshot
2016-05-08 Berk HessUpdate mdrun termination info commit | commitdiff | tree | snapshot
2016-05-08 Teemu MurtolaSupport for OpenCL CI builds commit | commitdiff | tree | snapshot
2016-05-06 Berk HessOpenMP parallelization for pull commit | commitdiff | tree | snapshot
2016-05-05 Teemu MurtolaMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-05-05 Teemu MurtolaMake Sphinx build silent for version 1.3+ commit | commitdiff | tree | snapshot
2016-05-05 Szilárd PállRemove CUDA host compiler consistency checks commit | commitdiff | tree | snapshot
2016-05-05 Erik LindahlFix SIMD detection on AMD AVX CPUs w/o fma (master) commit | commitdiff | tree | snapshot
2016-05-05 Erik LindahlAvoid allocating heap memory for tabulated distribution commit | commitdiff | tree | snapshot
2016-05-03 Teemu MurtolaMark optional input/output files in gmx order commit | commitdiff | tree | snapshot
2016-04-28 Roland SchulzMerge "Merge branch release-5-1" commit | commitdiff | tree | snapshot
2016-04-28 Teemu MurtolaUse HardwareTopology to set nthreads_hw_avail commit | commitdiff | tree | snapshot
2016-04-28 Teemu MurtolaRemove gmx_hw_info_t::ncore commit | commitdiff | tree | snapshot
2016-04-28 Szilárd PállWorkaround for gcc false positive warning commit | commitdiff | tree | snapshot
2016-04-27 Teemu MurtolaImprove release workflow testing commit | commitdiff | tree | snapshot
2016-04-27 Teemu MurtolaDisable multiple ranks for non-MPI unit tests commit | commitdiff | tree | snapshot
2016-04-27 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-04-27 Szilárd PállFix multiple MPI ranks per node with OpenCL commit | commitdiff | tree | snapshot
2016-04-27 Teemu MurtolaFix issues with failing thread affinity setting commit | commitdiff | tree | snapshot
2016-04-27 Teemu MurtolaMerge "Merge branch release-5-1" commit | commitdiff | tree | snapshot
2016-04-26 Vedran MiletićDisable CUDA profiler when using OpenCL commit | commitdiff | tree | snapshot
2016-04-26 Szilárd PállFix OpenCL assertion commit | commitdiff | tree | snapshot
2016-04-26 Roland SchulzFix numerically unstable Gaussian test commit | commitdiff | tree | snapshot
2016-04-20 Berk HessFix pull legend with external potential commit | commitdiff | tree | snapshot
2016-04-19 Roland SchulzFix numerically unstable selection test commit | commitdiff | tree | snapshot
2016-04-19 Szilárd PállMove out CUDA profiler triggers from NBNXN commit | commitdiff | tree | snapshot
2016-04-19 Berk HessAllow rcoulomb>rvdw with PME commit | commitdiff | tree | snapshot
2016-04-19 Mark AbrahamReplace libxml2 with tinyxml2 for use in test code commit | commitdiff | tree | snapshot
2016-04-19 Roland SchulzTune nstlist increase for KNL commit | commitdiff | tree | snapshot
2016-04-19 Mark AbrahamFix parse_digits_from_string commit | commitdiff | tree | snapshot
2016-04-19 Berk HessBroadcast pull external potential provider string commit | commitdiff | tree | snapshot
2016-04-19 Mark AbrahamFix mdp label generation commit | commitdiff | tree | snapshot
2016-04-19 Berk HessFix gmx hbond group overlap check commit | commitdiff | tree | snapshot
2016-04-18 Teemu MurtolaMake thread affinity failures always end up in log commit | commitdiff | tree | snapshot
2016-04-18 Mark AbrahamReduce compilation coupling of SIMD module commit | commitdiff | tree | snapshot
2016-04-15 Roland SchulzFix AVX512 suggestion commit | commitdiff | tree | snapshot
2016-04-15 Roland SchulzRemove idioms deprecated in C++11 commit | commitdiff | tree | snapshot
2016-04-14 Berk HessAdd QMMM checks commit | commitdiff | tree | snapshot
2016-04-14 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-04-14 Carsten KutznerCorrected value of electric conversion factor f in... commit | commitdiff | tree | snapshot
2016-04-13 Szilárd PállSpelling fixes commit | commitdiff | tree | snapshot
2016-04-13 Szilárd PállDo not create empty man/man7 directory commit | commitdiff | tree | snapshot
2016-04-06 Roland SchulzAVX512 transposeScatterIncr/DecrU with load/store commit | commitdiff | tree | snapshot
2016-04-04 Erik LindahlFix hwloc narrowing warning on 32-bit architectures commit | commitdiff | tree | snapshot
2016-04-04 Szilárd PállMark more variables as advanced commit | commitdiff | tree | snapshot
2016-04-04 Erik LindahlFix compile error for IBM VMX on ppc64 commit | commitdiff | tree | snapshot
2016-04-04 Erik LindahlFix SIMD detection on new AMD AVX CPUs w/o fma commit | commitdiff | tree | snapshot
2016-04-03 Berk HessCorrect nrdf for 1D/2D systems commit | commitdiff | tree | snapshot
2016-04-03 Erik LindahlFix unit test segfaults with gcc-6.0 commit | commitdiff | tree | snapshot
2016-04-03 Erik LindahlFix incorrect return type for scalar version of simd... commit | commitdiff | tree | snapshot
2016-04-03 Semen YesylevskyyAdded references to ProtSqueeze and g_membed to the... commit | commitdiff | tree | snapshot
2016-04-02 Roland SchulzFix coolquotes commit | commitdiff | tree | snapshot
2016-04-01 Mark AbrahamRevert to treating -1 as "generate a seed" in .mdp commit | commitdiff | tree | snapshot
2016-03-31 Berk HessFix includes in readpull.cpp commit | commitdiff | tree | snapshot
2016-03-31 Berk HessAdd option for external pull potential commit | commitdiff | tree | snapshot
2016-03-31 Mark AbrahamAdd test and improved docs for custom checkSequence commit | commitdiff | tree | snapshot
2016-03-31 James W. BarnettRevert behavior for handling SETTLE errors commit | commitdiff | tree | snapshot
2016-03-31 Szilárd Pállrefactor CUDA texture-based table initialization commit | commitdiff | tree | snapshot
2016-03-31 Szilard Pallavoid CPU oversubscription with GPUs commit | commitdiff | tree | snapshot
2016-03-31 Szilárd PállFix multiple tMPI ranks per OpenCL device commit | commitdiff | tree | snapshot
2016-03-30 Szilárd PállLJ combination rule kernels for OpenCL commit | commitdiff | tree | snapshot
2016-03-30 Szilárd PállRe-enable i-atom type local mem prefetch in OpenCL commit | commitdiff | tree | snapshot
2016-03-30 Berk HessCorrect mdrun tMPI (non-)parallel error message commit | commitdiff | tree | snapshot
2016-03-30 Teemu MurtolaMake includesorter.py work with Doxygen 1.8.10+ commit | commitdiff | tree | snapshot
2016-03-30 Szilárd PállDescribe AMD APPSDK 3.0 issues in the guide commit | commitdiff | tree | snapshot
2016-03-30 Teemu MurtolaFix error reporting for documentation build commit | commitdiff | tree | snapshot
2016-03-30 Mark AbrahamClean up vsite code commit | commitdiff | tree | snapshot
2016-03-28 Teemu MurtolaMore support for release workflow commit | commitdiff | tree | snapshot
2016-03-26 Teemu MurtolaIgnore empty GMXLIB commit | commitdiff | tree | snapshot
2016-03-26 Berk HessAdd real/SIMD template for LJ-14 pairs commit | commitdiff | tree | snapshot
2016-03-23 David van der... Removed srenew that was making array smaller incorrectly. commit | commitdiff | tree | snapshot
2016-03-22 Berk HessAvoid assertion failure in pme_loadbal_do commit | commitdiff | tree | snapshot
2016-03-22 Berk HessMake gmx vanhove work without PBC commit | commitdiff | tree | snapshot
2016-03-22 Carsten KutznerClean-up code for swapcoords. commit | commitdiff | tree | snapshot
2016-03-22 Berk HessLJ combination rule kernels for CUDA commit | commitdiff | tree | snapshot
2016-03-21 Berk HessMoved pull initialization back to mdrunner commit | commitdiff | tree | snapshot
2016-03-19 Mark AbrahamAdd more const correctness commit | commitdiff | tree | snapshot
2016-03-19 Mark AbrahamFix warning from GCC 6 commit | commitdiff | tree | snapshot
2016-03-19 Mark AbrahamImproved some mdrun integration tests commit | commitdiff | tree | snapshot
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