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alexxy/gromacs.git
2016-01-25 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-01-24 Berk HessFix exact continuation from non-energy steps commit | commitdiff | tree | snapshot
2016-01-24 Berk HessFix energy file continuation with md-vv commit | commitdiff | tree | snapshot
2016-01-24 Mark AbrahamUpdate references to HTML and online documentation commit | commitdiff | tree | snapshot
2016-01-24 Teemu MurtolaDocument limitations on 32-bit Linux commit | commitdiff | tree | snapshot
2016-01-24 Berk HessFix energy average with continuation commit | commitdiff | tree | snapshot
2016-01-20 Szilárd PállMerge remote-tracking branch 'origin/release-5-1' into... commit | commitdiff | tree | snapshot
2016-01-20 David van der... Couple of new quotes commit | commitdiff | tree | snapshot
2016-01-20 Carsten KutznerMade g_tune_pme work with -cpi -deffnm combination commit | commitdiff | tree | snapshot
2016-01-14 Mark AbrahamPermit customized testing of grompp and mdrun commit | commitdiff | tree | snapshot
2016-01-13 Mark AbrahamAllowed NVML support to be toggled commit | commitdiff | tree | snapshot
2016-01-12 Mark AbrahamMerge branch release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2016-01-12 Teemu MurtolaMake GMX_MPI always defined to 0/1 commit | commitdiff | tree | snapshot
2016-01-12 Teemu MurtolaMove flags out of t_trxframe commit | commitdiff | tree | snapshot
2016-01-12 Teemu MurtolaRemove historical times from t_trxframe commit | commitdiff | tree | snapshot
2016-01-12 Teemu MurtolaSupport passing tarball MD5 for webpage build commit | commitdiff | tree | snapshot
2016-01-12 Teemu MurtolaRemove vmdplugin from t_trxframe commit | commitdiff | tree | snapshot
2016-01-11 Teemu MurtolaConvert more config.h defines to 0/1 commit | commitdiff | tree | snapshot
2016-01-11 Mark AbrahamImproved update_coords commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaSupport trajectory analysis with any atom subset commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaSupport frames with atom subsets in selections commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaSupport arbitrary subset trajectories in poscalc.* commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaMake file names in fatal error messages more robust commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaDo not warn about missing OpenMP with GMX_GPU=OFF commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaMore config.h macros to 0/1 commit | commitdiff | tree | snapshot
2016-01-10 Teemu MurtolaConvert some config.h macros to use 0/1 commit | commitdiff | tree | snapshot
2016-01-09 Szilárd Pállsplit NBNXN CUDA kernels into four compilation units commit | commitdiff | tree | snapshot
2016-01-08 Berk HessFix PME load balancing skipping a setup commit | commitdiff | tree | snapshot
2016-01-08 Mark AbrahamImprove tpr header version handling commit | commitdiff | tree | snapshot
2016-01-08 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamFix some mdrun header dependencies commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamAvoid more C++ bindings for MPI commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamDocument how potential-switch works commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamStop using UNDEFINED as name of a symbol commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamRemove fields used only for SD2 commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamBackport md-vv fixes commit | commitdiff | tree | snapshot
2016-01-07 Mark AbrahamRemove SD2 integrator commit | commitdiff | tree | snapshot
2016-01-07 David van der... Made normal modes work with shells and vsites commit | commitdiff | tree | snapshot
2016-01-07 Michael ShirtsFixes two problems related to restarts for vv. commit | commitdiff | tree | snapshot
2016-01-06 Mark AbrahamFix spurious gcc warning commit | commitdiff | tree | snapshot
2016-01-05 Teemu MurtolaUpdate packaging build commit | commitdiff | tree | snapshot
2016-01-05 Mark AbrahamFix logic for DD missing-interactions check commit | commitdiff | tree | snapshot
2016-01-05 Szilard Pallremove duplicate macros and enable Wundef in CUDA commit | commitdiff | tree | snapshot
2016-01-05 Mark AbrahamUse EXPECT_TRUE and EXPECT_FALSE in new SIMD tests commit | commitdiff | tree | snapshot
2016-01-04 Erik LindahlFix unnecessary SIMD warning commit | commitdiff | tree | snapshot
2016-01-04 Mark AbrahamChange GMX_DOUBLE to be always defined commit | commitdiff | tree | snapshot
2016-01-01 Szilard PallFix xlc+CUDA workaround in gmxManageNvccConfig commit | commitdiff | tree | snapshot
2015-12-31 Teemu MurtolaReport used defines in check-source commit | commitdiff | tree | snapshot
2015-12-29 Berk HessCorrect vector check of gmx check commit | commitdiff | tree | snapshot
2015-12-29 Teemu MurtolaPackaging build script for web site commit | commitdiff | tree | snapshot
2015-12-29 Teemu MurtolaReduce inputrec.h dependencies commit | commitdiff | tree | snapshot
2015-12-28 Mark AbrahamCreate invertmatrix.h commit | commitdiff | tree | snapshot
2015-12-28 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2015-12-27 Erik LindahlExtended SIMD, implementation for Intel MIC commit | commitdiff | tree | snapshot
2015-12-27 Teemu MurtolaImprove text writing in help output commit | commitdiff | tree | snapshot
2015-12-27 Roland SchulzFix G++ 4.7.0 commit | commitdiff | tree | snapshot
2015-12-27 Teemu MurtolaSource packaging with new releng commit | commitdiff | tree | snapshot
2015-12-27 Teemu MurtolaFurther vec.h cleanup commit | commitdiff | tree | snapshot
2015-12-27 Mark AbrahamFix some OpenCL issues commit | commitdiff | tree | snapshot
2015-12-27 Berk HessReorganized domdec initialization commit | commitdiff | tree | snapshot
2015-12-27 Erik LindahlAvoid using aligned member variables in SIMD tests commit | commitdiff | tree | snapshot
2015-12-26 Alexey ShvetsovMake moleculetype case sensitive commit | commitdiff | tree | snapshot
2015-12-26 Szilard PallImprove documentation on OpenCL issue with NVIDIA commit | commitdiff | tree | snapshot
2015-12-26 Teemu MurtolaClean up vec.h commit | commitdiff | tree | snapshot
2015-12-24 Mark AbrahamMoved responsibility for f_global commit | commitdiff | tree | snapshot
2015-12-24 Mark AbrahamShell code cleanup commit | commitdiff | tree | snapshot
2015-12-24 Erik LindahlExtended SIMD, implementation for IBM Power7/8 VSX commit | commitdiff | tree | snapshot
2015-12-24 Erik LindahlIBM Power6 VMX extended SIMD commit | commitdiff | tree | snapshot
2015-12-24 Erik LindahlExtended SIMD, impl for Arm Neon and 64-bit Neon Asimd commit | commitdiff | tree | snapshot
2015-12-24 Teemu MurtolaAdd functionality to TextWriter commit | commitdiff | tree | snapshot
2015-12-21 Erik LindahlExtended SIMD, implementation for BlueGene/Q commit | commitdiff | tree | snapshot
2015-12-21 Erik LindahlExtended SIMD implementation for 256-bit AVX and AVX2 commit | commitdiff | tree | snapshot
2015-12-20 Erik LindahlNext-generation SIMD, for SSE2, SSE4.1 and 128-bit AVX commit | commitdiff | tree | snapshot
2015-12-20 Teemu MurtolaFix most warnings with Doxygen 1.8.10 commit | commitdiff | tree | snapshot
2015-12-20 Berk HessMerge release-5-1 into master commit | commitdiff | tree | snapshot
2015-12-19 Berk HessBring performance estimation up to date commit | commitdiff | tree | snapshot
2015-12-19 Erik LindahlFix compiler warning in cpuinfo for non-x86 architectures commit | commitdiff | tree | snapshot
2015-12-19 Teemu MurtolaUpdate versioning for new scheme commit | commitdiff | tree | snapshot
2015-12-17 Berk HessRemoved topology pointers from DD struct commit | commitdiff | tree | snapshot
2015-12-17 Mark AbrahamSimplified energy-summation code commit | commitdiff | tree | snapshot
2015-12-16 Teemu MurtolaMove calcgrid.* to fft/ commit | commitdiff | tree | snapshot
2015-12-16 Berk HessAdd one element to state rvec arrays commit | commitdiff | tree | snapshot
2015-12-16 Erik LindahlNext-generation SIMD module, reference implementation commit | commitdiff | tree | snapshot
2015-12-15 Erik LindahlC++ math function cleanup commit | commitdiff | tree | snapshot
2015-12-15 Teemu MurtolaMove main.*, splitter.*, gmx_omp_nthreads.* to mdlib commit | commitdiff | tree | snapshot
2015-12-15 Teemu MurtolaMove readinp.* and warninp.* to fileio/ commit | commitdiff | tree | snapshot
2015-12-15 Teemu MurtolaMove hardware detection to hardware/ commit | commitdiff | tree | snapshot
2015-12-15 Teemu MurtolaMove some mdrun code out of gmxlib/ commit | commitdiff | tree | snapshot
2015-12-15 Teemu MurtolaMove gpu_utils etc. out of gmxlib commit | commitdiff | tree | snapshot
2015-12-14 Teemu MurtolaInstall baseversion.h commit | commitdiff | tree | snapshot
2015-12-13 Szilard PallOpenCL code cleanup commit | commitdiff | tree | snapshot
2015-12-12 Teemu MurtolaCreate separate module for trajectory data commit | commitdiff | tree | snapshot
2015-12-12 Berk HessRemoved unused mdrun option -dn commit | commitdiff | tree | snapshot
2015-12-12 Teemu MurtolaMove disre.* and orires.* to listed-forces/ commit | commitdiff | tree | snapshot
2015-12-12 Teemu MurtolaMove ifunc.* to topology/ commit | commitdiff | tree | snapshot
2015-12-12 Teemu MurtolaMove put_atoms_in_box_omp() to sim_util.* commit | commitdiff | tree | snapshot
2015-12-12 Teemu MurtolaRemove topology -> fileio dependency commit | commitdiff | tree | snapshot
2015-12-12 Mark AbrahamBroke up copyright.* commit | commitdiff | tree | snapshot
2015-12-12 Mark AbrahamRequire Nose-Hoover with MTTK commit | commitdiff | tree | snapshot
2015-12-12 Christoph JunghansAdResS: lost performance tweak commit | commitdiff | tree | snapshot
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