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alexxy/gromacs.git
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
2016-03-09 Erik LindahlRandom engines & distributions as proper C++11 classes commit | commitdiff | tree | snapshot
2016-03-09 Erik LindahlSupport for portable hardware locality (hwloc) commit | commitdiff | tree | snapshot
2016-03-05 Mark AbrahamAdd SETTLE unit tests commit | commitdiff | tree | snapshot
2016-03-04 Berk HessConverted csettle() to use real/SimdReal template commit | commitdiff | tree | snapshot
2016-03-04 Erik LindahlFix length of SIMD4 boolean vector in reference build commit | commitdiff | tree | snapshot
2016-03-04 John EblenMinor corrections to license file COPYING commit | commitdiff | tree | snapshot
2016-03-03 Berk HessUse SIMD transpose scatter in bondeds commit | commitdiff | tree | snapshot
2016-03-03 Berk HessUse rvec4 for listed force buffer commit | commitdiff | tree | snapshot
2016-02-27 Berk HessRemove epsfac from GPU kernel inner-loops commit | commitdiff | tree | snapshot
2016-02-27 Berk HessMinor code reordering in GPU kernels commit | commitdiff | tree | snapshot
2016-02-26 Szilárd PállFix leftover load() calls in the simd util headers commit | commitdiff | tree | snapshot
2016-02-26 Berk HessFix compilation with Simd4Float, without Simd4Double commit | commitdiff | tree | snapshot
2016-02-26 Mark AbrahamSeparated test of CDATA end tag handling from others commit | commitdiff | tree | snapshot
2016-02-23 Mark AbrahamReplace cppcheck suppression in checkpoint code commit | commitdiff | tree | snapshot
2016-02-22 Mark AbrahamMove init of specialized dynamical algorithms to do_md commit | commitdiff | tree | snapshot
2016-02-21 Mark AbrahamSeparate table construction commit | commitdiff | tree | snapshot
2016-02-19 Gerrit Code... Merge "Merge branch release-5-1" commit | commitdiff | tree | snapshot
2016-02-19 Szilárd PállFix OpenCL table interpolations of Ewald correction commit | commitdiff | tree | snapshot
2016-02-19 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-02-19 Mark AbrahamMake both ftp and http links for source download commit | commitdiff | tree | snapshot
2016-02-19 Berk HessFix excessive list splitting commit | commitdiff | tree | snapshot
2016-02-19 John EblenFix compiler warnings with ICC commit | commitdiff | tree | snapshot
2016-02-18 John EblenFix copyright commit | commitdiff | tree | snapshot
2016-02-18 Carsten KutznerSmall update to reference manual commit | commitdiff | tree | snapshot
2016-02-18 Mark AbrahamUpdated reference manual text about PME tuning commit | commitdiff | tree | snapshot
2016-02-17 Szilárd Pállreintroduce supercl interaction mask constant commit | commitdiff | tree | snapshot
2016-02-17 Szilárd Pállchange macros to constants in GPU code commit | commitdiff | tree | snapshot
2016-02-17 Berk HessRenamed nbnxn static const ints commit | commitdiff | tree | snapshot
2016-02-16 Alexey ShvetsovSame fix for XeonPhi (double precision) commit | commitdiff | tree | snapshot
2016-02-16 Mark AbrahamMerge branch release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2016-02-16 Carsten KutznerChanged norm(...) > 0 condition to norm2(...) > 0 in... commit | commitdiff | tree | snapshot
2016-02-16 Viveca LindahlReplaced pull-print-com1,2 mdp option with pull-print... commit | commitdiff | tree | snapshot
2016-02-16 Carsten KutznerImproved/enlarged Fig. 4.9 in manual for better readability commit | commitdiff | tree | snapshot
2016-02-16 Alexey ShvetsovMake GROMACS compile again on XeonPhi commit | commitdiff | tree | snapshot
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