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alexxy/gromacs.git
2016-06-17 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-06-17 Mark AbrahamFix multi-sim + DD + simple distance restraints commit | commitdiff | tree | snapshot
2016-06-14 Berk HessFix OpenCL error with empty domains commit | commitdiff | tree | snapshot
2016-06-14 Szilárd PállFix CUDA build with multiple compilation units commit | commitdiff | tree | snapshot
2016-06-13 Berk HessHandle constraint errors with EM commit | commitdiff | tree | snapshot
2016-06-10 Mark AbrahamFind python for docs build quietly commit | commitdiff | tree | snapshot
2016-06-08 Erik LindahlDisable static libcudart on OS X commit | commitdiff | tree | snapshot
2016-06-08 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-06-07 Mark AbrahamRe-add support for linking against external TinyXML-2 commit | commitdiff | tree | snapshot
2016-06-07 Mark AbrahamUpdates to documentation commit | commitdiff | tree | snapshot
2016-06-07 Semen YesylevskyyAdded manual section about embedding proteins to membranes. commit | commitdiff | tree | snapshot
2016-06-07 Berk HessFix data race in hwinfo with thread-MPI commit | commitdiff | tree | snapshot
2016-06-05 Szilárd PállAdd support for CUDA CC 6.0/6.1 commit | commitdiff | tree | snapshot
2016-06-04 Erik LindahlCheck number of items read in mdp statements commit | commitdiff | tree | snapshot
2016-06-03 Vedran MiletićWrite OpenCL build log prior to checking build status commit | commitdiff | tree | snapshot
2016-06-03 Berk HessHandle partially frozen and constrained atoms commit | commitdiff | tree | snapshot
2016-06-02 Mark AbrahamFix compatibility with older CMake commit | commitdiff | tree | snapshot
2016-06-02 Mark AbrahamMake more CMake variables advanced commit | commitdiff | tree | snapshot
2016-06-02 Mark AbrahamIgnore stderr when detecting SIMD and build info commit | commitdiff | tree | snapshot
2016-06-02 Szilárd PállAdd env. var. to enable OpenCL caching commit | commitdiff | tree | snapshot
2016-06-02 Szilárd PállFix OpenCL binary cache file name generation commit | commitdiff | tree | snapshot
2016-06-02 Roland SchulzFix ICC 16u3 build commit | commitdiff | tree | snapshot
2016-06-02 Patrick WelcheEnsure IMD include dependencies work commit | commitdiff | tree | snapshot
2016-05-31 Teemu MurtolaImprove make_ndx help text commit | commitdiff | tree | snapshot
2016-05-31 Mark AbrahamFix reference to vmdio.c to be vmdio.cpp commit | commitdiff | tree | snapshot
2016-05-31 Mark AbrahamSecond 2016 beta release commit | commitdiff | tree | snapshot
2016-05-31 Berk HessReposition nbnxn filler particles commit | commitdiff | tree | snapshot
2016-05-31 Berk HessAvoid numerical overflow with overlapping atoms commit | commitdiff | tree | snapshot
2016-05-31 Berk HessAdd check for finite energies commit | commitdiff | tree | snapshot
2016-05-30 Berk HessAdd grompp check for unbound atoms commit | commitdiff | tree | snapshot
2016-05-29 Mark AbrahamSimplified and updated OpenCL compilation commit | commitdiff | tree | snapshot
2016-05-28 Roland SchulzFix build with clang 3.1+3.2 commit | commitdiff | tree | snapshot
2016-05-27 Erik LindahlDetect the usage of hwtop XML caching commit | commitdiff | tree | snapshot
2016-05-27 Mark AbrahamFix reading of bonded tables commit | commitdiff | tree | snapshot
2016-05-26 Mark AbrahamNew quote commit | commitdiff | tree | snapshot
2016-05-23 Berk HessFix bug in v-rescale thermostat & replica exchange commit | commitdiff | tree | snapshot
2016-05-21 Erik LindahlDisable automated FFTW3 builds on Windows commit | commitdiff | tree | snapshot
2016-05-17 Roland SchulzAdd reference to TopoTools 1.6 commit | commitdiff | tree | snapshot
2016-05-17 Teemu MurtolaFix some thread affinity cases commit | commitdiff | tree | snapshot
2016-05-13 Roland SchulzDon't use abort for fatal errors commit | commitdiff | tree | snapshot
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
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