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alexxy/gromacs.git
2016-07-29 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-07-29 David van der... Fixes incorrect charges in OPLS/AA-L for HISD and HISE commit | commitdiff | tree | snapshot
2016-07-28 Mark AbrahamAdd toolchain flags for SSE2 compilation commit | commitdiff | tree | snapshot
2016-07-21 Mark AbrahamBumped patch number to prepare for future 5.1.4 release commit | commitdiff | tree | snapshot
2016-07-14 Mark AbrahamFix issues with using int for number of steps commit | commitdiff | tree | snapshot
2016-07-13 Mark AbrahamVersion 5.1.3 commit | commitdiff | tree | snapshot
2016-07-12 Mark AbrahamFix trr magic number reading commit | commitdiff | tree | snapshot
2016-07-11 Mark AbrahamFix gmx mdrun -membed -ntmpi -1 commit | commitdiff | tree | snapshot
2016-07-11 Erik LindahlFix membed with partial revert of 29943f commit | commitdiff | tree | snapshot
2016-07-11 Michael ShirtsFix for incorrectly setting expanded ensemble when... commit | commitdiff | tree | snapshot
2016-07-11 Mark AbrahamFix regressiontest download md5sum commit | commitdiff | tree | snapshot
2016-07-09 Mark AbrahamFirst 2016 release candidate commit | commitdiff | tree | snapshot
2016-07-09 Erik LindahlHardware detection clean-up and pre/post-processing commit | commitdiff | tree | snapshot
2016-07-09 Erik LindahlPrevent fragile use cases of checkpoint appending commit | commitdiff | tree | snapshot
2016-07-08 Erik LindahlUpdate affinity checking for Intel compiler commit | commitdiff | tree | snapshot
2016-07-08 Vedran MiletićPrint working dir before command line commit | commitdiff | tree | snapshot
2016-07-08 David van der... Merge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2016-07-08 Jochen HubUpdated g_wham for the new pull setup commit | commitdiff | tree | snapshot
2016-07-08 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-07-08 David van der... Introduce fatal error for too few frames in gmx dos. commit | commitdiff | tree | snapshot
2016-07-08 Mark AbrahamSimplify SIMD compiler flag construction commit | commitdiff | tree | snapshot
2016-07-08 Erik LindahlAdd detection for ARMv7 cycle counter support commit | commitdiff | tree | snapshot
2016-07-08 Erik LindahlWork around compiler issue with random test commit | commitdiff | tree | snapshot
2016-07-08 Szilárd PállAdd PDF metadata to the manual commit | commitdiff | tree | snapshot
2016-07-08 Szilárd PállUser guide clarifications commit | commitdiff | tree | snapshot
2016-07-07 Erik LindahlReduce hwloc & cpuid test requirements commit | commitdiff | tree | snapshot
2016-07-07 Mark AbrahamMove consistency check for number of threads commit | commitdiff | tree | snapshot
2016-07-07 Teemu MurtolaChange handling for missing releng docs commit | commitdiff | tree | snapshot
2016-07-07 Szilárd PállAdd user guide info on CUDA application clocks commit | commitdiff | tree | snapshot
2016-07-07 Mark AbrahamFix build if libcuda is found but nvcc is not commit | commitdiff | tree | snapshot
2016-07-07 Berk HessRelax pull PBC check commit | commitdiff | tree | snapshot
2016-07-05 Szilárd PállDocument GMX_GPU_APPLICATION_CLOCKS commit | commitdiff | tree | snapshot
2016-07-05 Berk HessAdd checks for too much memory in g_nmeig commit | commitdiff | tree | snapshot
2016-07-04 Mark AbrahamFixes for Power7 big-endian commit | commitdiff | tree | snapshot
2016-07-04 Szilárd PállDisable NVIDIA JIT cache with OpenCL commit | commitdiff | tree | snapshot
2016-07-03 Berk HessAdd grompp check for pull group commit | commitdiff | tree | snapshot
2016-07-01 Mark AbrahamFix use of _POSIX_THREAD* commit | commitdiff | tree | snapshot
2016-06-30 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-06-29 Mark AbrahamRefactor sysconf checking commit | commitdiff | tree | snapshot
2016-06-29 Mark AbrahamWork around glibc 2.23 with CUDA commit | commitdiff | tree | snapshot
2016-06-28 Berk HessProperly reset CUDA application clocks commit | commitdiff | tree | snapshot
2016-06-28 Mark AbrahamUpdate to include a gcc 6.1 configuration commit | commitdiff | tree | snapshot
2016-06-28 Mark AbrahamFix SIMD configuration management commit | commitdiff | tree | snapshot
2016-06-27 Mark AbrahamRemoved unnecessary inter-simulation signalling commit | commitdiff | tree | snapshot
2016-06-27 Berk HessUse sysconf(_SC_NPROCESSORS_ONLN) commit | commitdiff | tree | snapshot
2016-06-27 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-06-27 David van der... Made gmx dos work again. commit | commitdiff | tree | snapshot
2016-06-26 Berk HessFix vsite bug with MPI+OpenMP commit | commitdiff | tree | snapshot
2016-06-24 Berk HessFix Verlet buffer calculation with nstlist=1 commit | commitdiff | tree | snapshot
2016-06-23 Berk HessMore accurate GPU list splitting commit | commitdiff | tree | snapshot
2016-06-23 Mark AbrahamAllow use of external lmfit package commit | commitdiff | tree | snapshot
2016-06-23 Mark AbrahamPrevent use of mdrun -maxh -multi commit | commitdiff | tree | snapshot
2016-06-22 Berk HessUpdated OpenCLTODOList.txt commit | commitdiff | tree | snapshot
2016-06-22 Mark AbrahamFix configuration-time cpuinfo code commit | commitdiff | tree | snapshot
2016-06-22 David van der... Removed spurious r_ij in force for Morse potential... commit | commitdiff | tree | snapshot
2016-06-22 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-06-22 Berk HessAdd nbnxn pair-list rebalancing commit | commitdiff | tree | snapshot
2016-06-22 Berk HessRemove OpenMP overhead at high parallelization commit | commitdiff | tree | snapshot
2016-06-22 Berk HessCorrect GPU pair estimate for list splitting commit | commitdiff | tree | snapshot
2016-06-22 Mark AbrahamAdjust and document C++11 compiler tests commit | commitdiff | tree | snapshot
2016-06-21 Vedran MiletićPrevent writing to unallocated memory in mk_specbonds commit | commitdiff | tree | snapshot
2016-06-21 Berk HessFix bug with fbposres+MPI+OpenMP commit | commitdiff | tree | snapshot
2016-06-20 Mark AbrahamUpdate pre-submit matrix contents commit | commitdiff | tree | snapshot
2016-06-19 Berk HessRemove warnings on checkpoint mismatch commit | commitdiff | tree | snapshot
2016-06-19 Mark AbrahamImprove docs for linking stdlibc++ needed by icc commit | commitdiff | tree | snapshot
2016-06-17 Berk HessRemove std::thread::hardware_concurrency() commit | commitdiff | tree | snapshot
2016-06-17 Vedran MiletićReport the filename and the line number on failure commit | commitdiff | tree | snapshot
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
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