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alexxy/gromacs.git
2016-10-31 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-10-30 Teemu MurtolaSupport normalizing values in KeyValueTree commit | commitdiff | tree | snapshot
2016-10-30 Roland SchulzReplace qsort/bsearch with std::sort/lower_bound commit | commitdiff | tree | snapshot
2016-10-29 Berk HessAdd gmx dump option for printing parameters commit | commitdiff | tree | snapshot
2016-10-28 Mark AbrahamBumped version to prepare for next patch release commit | commitdiff | tree | snapshot
2016-10-28 Mark AbrahamVersion 2016.1 commit | commitdiff | tree | snapshot
2016-10-28 Berk HessDLB can now turn off, when slower commit | commitdiff | tree | snapshot
2016-10-28 Szilárd PállGPU-related additions to the install/user guide commit | commitdiff | tree | snapshot
2016-10-28 Berk HessFix DLB timing with CUDA and OpenCL commit | commitdiff | tree | snapshot
2016-10-27 Szilárd PállMake -cl-fast-relaxed-math default commit | commitdiff | tree | snapshot
2016-10-26 Szilárd PállAdd GMX_DISABLE_GPU_TIMING env var commit | commitdiff | tree | snapshot
2016-10-24 Teemu MurtolaElectric field mdp parsing using options commit | commitdiff | tree | snapshot
2016-10-24 Teemu MurtolaSupport for default values from Options to KeyValueTree commit | commitdiff | tree | snapshot
2016-10-24 Aleksei IupinovTreat CUDA files as C++ during cppcheck commit | commitdiff | tree | snapshot
2016-10-21 Mark AbrahamUpdate install guide commit | commitdiff | tree | snapshot
2016-10-21 Teemu MurtolaClean up option (default) value access commit | commitdiff | tree | snapshot
2016-10-21 Roland SchulzSuppress cppcheck warning commit | commitdiff | tree | snapshot
2016-10-21 Mark AbrahamUpdate cppcheck support to 1.76.1 commit | commitdiff | tree | snapshot
2016-10-19 Teemu MurtolaSerialization support for KeyValueTree commit | commitdiff | tree | snapshot
2016-10-19 Mark AbrahamUpgrade coverage matrix. commit | commitdiff | tree | snapshot
2016-10-18 Mark AbrahamFix SIMD suggestion for VMX commit | commitdiff | tree | snapshot
2016-10-17 Erik LindahlNew classes for spline interpolation tables commit | commitdiff | tree | snapshot
2016-10-17 Teemu MurtolaSupport option assignment from different precision commit | commitdiff | tree | snapshot
2016-10-17 Teemu MurtolaAdd support for reading values from refdata commit | commitdiff | tree | snapshot
2016-10-16 Teemu MurtolaImproved error handling for KeyValueTree operations commit | commitdiff | tree | snapshot
2016-10-15 Berk HessMove energyhistory_t out of t_state commit | commitdiff | tree | snapshot
2016-10-15 Teemu MurtolaImproved address sanitizer support commit | commitdiff | tree | snapshot
2016-10-15 Teemu MurtolaWork around memory leak in t_state commit | commitdiff | tree | snapshot
2016-10-15 Teemu MurtolaFix most memory leaks recently introduced commit | commitdiff | tree | snapshot
2016-10-14 Berk HessApply Berendsen P-couple at nstpcouple steps commit | commitdiff | tree | snapshot
2016-10-14 David van der... Fixes some memory leaks associated with testing applied... commit | commitdiff | tree | snapshot
2016-10-14 Teemu MurtolaUse gmx_mtop_t in selections, part 3 commit | commitdiff | tree | snapshot
2016-10-14 Teemu MurtolaUse gmx_mtop_t in selections, part 2 commit | commitdiff | tree | snapshot
2016-10-13 Teemu MurtolaUse gmx_mtop_t in selections, part 2 commit | commitdiff | tree | snapshot
2016-10-13 Berk HessExtend mtop_lookup.h commit | commitdiff | tree | snapshot
2016-10-13 Teemu MurtolaAdd back-mapping to KeyValueTreeTransform commit | commitdiff | tree | snapshot
2016-10-13 Teemu MurtolaUpdate bundled TNG commit | commitdiff | tree | snapshot
2016-10-13 Teemu MurtolaGetter for mapped paths from KeyValueTreeTransform commit | commitdiff | tree | snapshot
2016-10-12 James W. BarnettSet maxwarn to INT_MAX if GMX_MAXCONSTRWARN < 0 commit | commitdiff | tree | snapshot
2016-10-12 Teemu MurtolaUse gmx_mtop_t in selections, part 1 commit | commitdiff | tree | snapshot
2016-10-12 Teemu MurtolaWrap sel. method evaluation parameters to struct commit | commitdiff | tree | snapshot
2016-10-12 Mark AbrahamMake regressiontests updater build work for master... commit | commitdiff | tree | snapshot
2016-10-12 Berk HessFixed exception in usused result commit | commitdiff | tree | snapshot
2016-10-12 Berk HessFixed print bug in gmx wham commit | commitdiff | tree | snapshot
2016-10-12 Berk HessRefactor NPT energy calculation commit | commitdiff | tree | snapshot
2016-10-12 Berk HessRestructure leap-frog integrators commit | commitdiff | tree | snapshot
2016-10-11 James W. Barnettfix typo commit | commitdiff | tree | snapshot
2016-10-11 Mark AbrahamUpdate for FFTW 3.3.5 commit | commitdiff | tree | snapshot
2016-10-11 Teemu MurtolaSupport concurrent t_topology and gmx_mtop_t use commit | commitdiff | tree | snapshot
2016-10-11 Teemu MurtolaCheck atom mass availability in selections commit | commitdiff | tree | snapshot
2016-10-11 Berk HessSpeed up mtop_util atom lookup commit | commitdiff | tree | snapshot
2016-10-10 Mark AbrahamMerge "Merge branch release-2016" commit | commitdiff | tree | snapshot
2016-10-10 Aleksei IupinovFix trivial PME memory leaks commit | commitdiff | tree | snapshot
2016-10-09 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-10-09 Szilárd PállCorrect kernel launch bounds for CUDA sm_60 commit | commitdiff | tree | snapshot
2016-10-08 Berk HessAdd readConfAndTopology commit | commitdiff | tree | snapshot
2016-10-07 Mark AbrahamAdd script for Jenkins regressiontest update job commit | commitdiff | tree | snapshot
2016-10-07 David van der... Modularize electric field handling commit | commitdiff | tree | snapshot
2016-10-07 Berk HessChanged fr->f_novirsum to PaddedRVecVector commit | commitdiff | tree | snapshot
2016-10-05 Teemu MurtolaSupport different key matching in KeyValueTreeTransform commit | commitdiff | tree | snapshot
2016-10-05 Teemu MurtolaMerge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2016-10-03 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-10-03 Mark AbrahamReplace use of deprecated readdir_r commit | commitdiff | tree | snapshot
2016-10-03 Justin LemkulFix incorrect charge in HISE. commit | commitdiff | tree | snapshot
2016-10-03 Philip LocheEW3DC for non-neutral systems commit | commitdiff | tree | snapshot
2016-10-01 Berk HessFix inputrec initialization in 4 tools commit | commitdiff | tree | snapshot
2016-09-29 Berk HessUse std::vector in t_state commit | commitdiff | tree | snapshot
2016-09-29 Berk HessAdd flags for optional t_atoms entries commit | commitdiff | tree | snapshot
2016-09-28 Jochen HubFixed bug in gmx wham for reading pullx files. commit | commitdiff | tree | snapshot
2016-09-27 David van der... Fixed script xplor2gmx.pl to work with GMXDATA commit | commitdiff | tree | snapshot
2016-09-26 David van der... Fixes issue with Release build in correlation functions. commit | commitdiff | tree | snapshot
2016-09-24 Teemu MurtolaFix default nice level in mdrun-only build commit | commitdiff | tree | snapshot
2016-09-22 Berk HessFix gcc warning in AlignedAllocator commit | commitdiff | tree | snapshot
2016-09-20 Berk HessRemove state duplication in serial runs commit | commitdiff | tree | snapshot
2016-09-20 David van der... Made correlation function routine use std::vector commit | commitdiff | tree | snapshot
2016-09-18 Roland SchulzFix math-test false positive commit | commitdiff | tree | snapshot
2016-09-18 Roland SchulzBetter optimized ICC release flags commit | commitdiff | tree | snapshot
2016-09-16 Berk HessFixed unused variables in domdec.cpp commit | commitdiff | tree | snapshot
2016-09-16 Berk HessMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-09-16 Berk HessMade distance restraints work with threads and DD commit | commitdiff | tree | snapshot
2016-09-15 Aleksei IupinovMove the PME Ewald coefficients to the PME structure commit | commitdiff | tree | snapshot
2016-09-13 Berk HessMoved expanded ensemble history to pointer in t_state commit | commitdiff | tree | snapshot
2016-09-13 Roland SchulzTidy: modernize-use-emplace commit | commitdiff | tree | snapshot
2016-09-13 Berk HessChange ED and swapstate to pointers in t_state commit | commitdiff | tree | snapshot
2016-09-12 Mark AbrahamPreliminary clean up of NVML code commit | commitdiff | tree | snapshot
2016-09-12 Berk HessAdd const to thread-MPI functions commit | commitdiff | tree | snapshot
2016-09-12 Vedran MiletićDocument wallcycle counters and subcounters commit | commitdiff | tree | snapshot
2016-09-12 Teemu MurtolaFix various memory leaks commit | commitdiff | tree | snapshot
2016-09-11 Vedran MiletićPrint OpenCL error string instead of error code commit | commitdiff | tree | snapshot
2016-09-10 Berk HessRemove continuation from convert_tpr commit | commitdiff | tree | snapshot
2016-09-10 Aleksei IupinovFix PME data destructor not being called commit | commitdiff | tree | snapshot
2016-09-08 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-09-08 Mark AbrahamBumped patch number to prepare for future 5.1.5 release commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamVersion 5.1.4 commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamRemoved HIS1 from oplsaa and charmm definitions commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamFix LYN charges in amber03 commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamFix amber03 HIP charges commit | commitdiff | tree | snapshot
2016-09-07 Teemu MurtolaClean up CTest test management commit | commitdiff | tree | snapshot
2016-09-07 Erik LindahlBump oldest cmake, compiler and CUDA versions required commit | commitdiff | tree | snapshot
2016-09-06 Mark AbrahamWork around glibc 2.23 with CUDA commit | commitdiff | tree | snapshot
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