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alexxy/gromacs.git
2016-02-06 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-02-03 Berk HessReplaced literals in nbnxn lists by ints commit | commitdiff | tree | snapshot
2016-02-03 Mark AbrahamBumped patch number to prepare for future 5.1.3 release commit | commitdiff | tree | snapshot
2016-02-03 Mark AbrahamVersion 5.1.2 commit | commitdiff | tree | snapshot
2016-02-03 Berk HessFix mdrun removing Verlet buffer with EM commit | commitdiff | tree | snapshot
2016-02-03 Mark AbrahamFix grompp not warning when .mdp values have wrong... commit | commitdiff | tree | snapshot
2016-02-03 Berk HessFix SETTLE error handling commit | commitdiff | tree | snapshot
2016-02-03 Mark AbrahamMerge release-5-0 into release-5-1 commit | commitdiff | tree | snapshot
2016-02-03 Mark AbrahamFix dEkin/dl handling with multiple ranks commit | commitdiff | tree | snapshot
2016-02-02 Viveca LindahlAdded pull potential flat-bottom-high commit | commitdiff | tree | snapshot
2016-02-01 Gerrit Code... Merge "Merge branch release-5-1" commit | commitdiff | tree | snapshot
2016-02-01 Teemu MurtolaHandle pdbinfo in AtomsBuilder commit | commitdiff | tree | snapshot
2016-01-29 Berk HessAdded documentation for pme grid indexing commit | commitdiff | tree | snapshot
2016-01-29 Berk HessFix TPI ignoring PME mesh contributions. commit | commitdiff | tree | snapshot
2016-01-29 Berk HessUpdate -ntomp_pme -npme check commit | commitdiff | tree | snapshot
2016-01-29 Berk HessAdd check for double perturbation commit | commitdiff | tree | snapshot
2016-01-29 Berk HessFix LINCS triangle constraint thread issue commit | commitdiff | tree | snapshot
2016-01-28 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-01-28 Mark AbrahamFix use of __APPLE__ in OpenCL code commit | commitdiff | tree | snapshot
2016-01-28 Teemu MurtolaUpdate build scripts to releng changes commit | commitdiff | tree | snapshot
2016-01-28 Gerrit Code... Merge "Merge branch release-5-1" commit | commitdiff | tree | snapshot
2016-01-28 Mark AbrahamAdd OpenCL source file types to copyright checker commit | commitdiff | tree | snapshot
2016-01-28 Berk HessUpdate pair-list buffer manual commit | commitdiff | tree | snapshot
2016-01-28 Mark AbrahamAvoid FP exception commit | commitdiff | tree | snapshot
2016-01-28 Vedran MiletićOpenCL: use new defines (*_POW2_EXPONENT -> *_LOG2) commit | commitdiff | tree | snapshot
2016-01-27 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-01-27 Mark AbrahamRemove bNotLastFrame commit | commitdiff | tree | snapshot
2016-01-27 Mark AbrahamAdd suggestions for updating binutils commit | commitdiff | tree | snapshot
2016-01-26 Szilárd PállGPU code reorganization and tweaks commit | commitdiff | tree | snapshot
2016-01-26 Mark AbrahamFix default for GMX_USE_NVML commit | commitdiff | tree | snapshot
2016-01-25 Mark AbrahamMerge branch release-5-1 commit | commitdiff | tree | snapshot
2016-01-24 Mark AbrahamFix duplicate LaTeX equation label 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
2016-01-20 Ansgar EsztermannAdd missing initialization in nbnxn_pairlist_t 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
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