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alexxy/gromacs.git
2016-12-07 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-12-07 David van der... Couple of new quotes commit | commitdiff | tree | snapshot
2016-12-07 Teemu MurtolaFix use of position variables with plus/merge commit | commitdiff | tree | snapshot
2016-12-07 Mark AbrahamFix memory handling in gmx dump of TNG files commit | commitdiff | tree | snapshot
2016-12-05 Aleksei IupinovStop including parallel_3dfft.h in headers commit | commitdiff | tree | snapshot
2016-12-05 Mark AbrahamRemove undue narrowing of integer in TNG reading commit | commitdiff | tree | snapshot
2016-12-01 Mark AbrahamAdd INSTALL-dev to aid people doing unusual builds commit | commitdiff | tree | snapshot
2016-12-01 Aleksei IupinovMove GPU assignment functions into a separate file commit | commitdiff | tree | snapshot
2016-12-01 Mark AbrahamFix minor trjconv bug commit | commitdiff | tree | snapshot
2016-11-29 Teemu MurtolaAdditional selection help commit | commitdiff | tree | snapshot
2016-11-24 Berk HessChange spline moduli calculation to double commit | commitdiff | tree | snapshot
2016-11-23 Berk HessConvert energyhistory_t to use std::vector commit | commitdiff | tree | snapshot
2016-11-23 Berk HessUse templating in checkpoint.cpp commit | commitdiff | tree | snapshot
2016-11-23 Mark AbrahamStop including tng_io_fwd.h commit | commitdiff | tree | snapshot
2016-11-21 Aleksei IupinovMove hardcoded PME grid indexing constants into header commit | commitdiff | tree | snapshot
2016-11-18 David van der... Added first tests of bonded force functions. commit | commitdiff | tree | snapshot
2016-11-16 Mark AbrahamEnhanced ArrayRef commit | commitdiff | tree | snapshot
2016-11-16 Mark AbrahamCreated paddedvector.h commit | commitdiff | tree | snapshot
2016-11-16 Mark AbrahamRemove unimplemented gmx trjcat -vel commit | commitdiff | tree | snapshot
2016-11-15 Carsten KutznerFixed typo in membed.cpp commit | commitdiff | tree | snapshot
2016-11-10 Christoph Junghanscmake: fix build with GMX_EXTERNAL_TNG=ON commit | commitdiff | tree | snapshot
2016-11-08 Dan HorákFix x86 conditional commit | commitdiff | tree | snapshot
2016-11-06 Teemu MurtolaAdd selection-enabled gmx traj commit | commitdiff | tree | snapshot
2016-11-03 Roland SchulzSupress ICC 16 on Windows false postives commit | commitdiff | tree | snapshot
2016-11-01 Aleksei IupinovRemove imatrix type and related unused/erroneous code commit | commitdiff | tree | snapshot
2016-11-01 Szilárd PállMerge "Merge branch release-2016" commit | commitdiff | tree | snapshot
2016-11-01 Berk HessFix time label print in gmx vanhove commit | commitdiff | tree | snapshot
2016-10-31 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
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
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