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alexxy/gromacs.git
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
2016-03-18 Mark AbrahamWarn about OpenMPI 1.8.6 commit | commitdiff | tree | snapshot
2016-03-18 Berk HessFix non-normalization of FFT autocorr commit | commitdiff | tree | snapshot
2016-03-18 Mark AbrahamFix typo in Fourier dihedral equation commit | commitdiff | tree | snapshot
2016-03-18 Viveca LindahlAdded pull coordinate geometry angle-axis commit | commitdiff | tree | snapshot
2016-03-18 Viveca LindahlAdded pull coordinate geometry dihedral (angle) commit | commitdiff | tree | snapshot
2016-03-18 Viveca LindahlAdded pull coordinate geometry angle. commit | commitdiff | tree | snapshot
2016-03-18 David van der... Fixed division by zero in polarize. commit | commitdiff | tree | snapshot
2016-03-18 Carsten KutznerClarified license text in the .tex manual commit | commitdiff | tree | snapshot
2016-03-18 Nicholas BreenVarious minor spelling fixes - messages and code commen... commit | commitdiff | tree | snapshot
2016-03-17 Carsten KutznerFix membed initialization commit | commitdiff | tree | snapshot
2016-03-17 Szilárd PállFixed OpenCL e/fshift clear kernel first invocation commit | commitdiff | tree | snapshot
2016-03-15 Mark AbrahamMerge branch release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2016-03-14 Teemu MurtolaAdd tests for empty strings in refdata commit | commitdiff | tree | snapshot
2016-03-14 Jakub KrajniakFix tabulated wall potential. commit | commitdiff | tree | snapshot
2016-03-14 Berk HessRemove restriction on dihdraltypes order commit | commitdiff | tree | snapshot
2016-03-13 Teemu MurtolaSupport replacing solvent in insert-molecules commit | commitdiff | tree | snapshot
2016-03-12 Mark AbrahamUpdate use of isnan in linearalgebra commit | commitdiff | tree | snapshot
2016-03-12 Mark AbrahamFind hwloc quietly if it's already been found commit | commitdiff | tree | snapshot
2016-03-12 Berk HessSplit off Fermi kernel from CUDA kernel commit | commitdiff | tree | snapshot
2016-03-11 Roland SchulzFix MPI_IN_PLACE test commit | commitdiff | tree | snapshot
2016-03-11 Mark AbrahamAdd infrastructure for tests to compare mdruns commit | commitdiff | tree | snapshot
2016-03-11 Mark AbrahamMerge branch release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2016-03-10 Roland SchulzImprove AVX512 commit | commitdiff | tree | snapshot
2016-03-10 Mark AbrahamRequire 2015 version for MSVC commit | commitdiff | tree | snapshot
2016-03-09 Berk HessFix Ewald 3DC dipole with Verlet scheme commit | commitdiff | tree | snapshot
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