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alexxy/gromacs.git
2015-02-02 Roland SchulzFix FP exception in FE commit | commitdiff | tree | snapshot
2015-01-29 Teemu MurtolaAdd input file options that accept missing files commit | commitdiff | tree | snapshot
2015-01-29 John BaxterRemoves some unnecessary ternary conditionals commit | commitdiff | tree | snapshot
2015-01-27 Roland SchulzWorkaround for MemorySanitizer commit | commitdiff | tree | snapshot
2015-01-27 Roland SchulzFix unitlized memory read in checkpoint commit | commitdiff | tree | snapshot
2015-01-24 Teemu MurtolaRemove old selection parser error handling code commit | commitdiff | tree | snapshot
2015-01-24 Teemu MurtolaImprove selection error messages (use exceptions) commit | commitdiff | tree | snapshot
2015-01-23 John BaxterCleans up steepest descent initial potential hack commit | commitdiff | tree | snapshot
2015-01-23 Mark AbrahamChange some listed-forces headers to be library-only commit | commitdiff | tree | snapshot
2015-01-23 Teemu MurtolaIgnore test-only dependency cycles commit | commitdiff | tree | snapshot
2015-01-22 John BaxterChanged "struct swap" to "struct t_swap" commit | commitdiff | tree | snapshot
2015-01-20 Teemu MurtolaMake data file path search more reusable commit | commitdiff | tree | snapshot
2015-01-20 Mark AbrahamRemoved gmx_header_config.h commit | commitdiff | tree | snapshot
2015-01-20 Teemu MurtolaConvert forcefield search to C++ commit | commitdiff | tree | snapshot
2015-01-19 Erik LindahlAdded two quotes from Julie Bernauer habilitation commit | commitdiff | tree | snapshot
2015-01-19 James BarnettAdd tip4pew parameters to oplsaa.ff commit | commitdiff | tree | snapshot
2015-01-19 Teemu MurtolaRemove AnalysisNeighborhood::setUseBoundingBox() commit | commitdiff | tree | snapshot
2015-01-17 Teemu MurtolaMerge "Merge branch release-5-0" commit | commitdiff | tree | snapshot
2015-01-16 Szilard PallImprove and clarify mdrun behavior with nsteps<0 commit | commitdiff | tree | snapshot
2015-01-15 Mark AbrahamMerge branch release-5-0 commit | commitdiff | tree | snapshot
2015-01-15 Berk HessFix allocation issue with VV integrator commit | commitdiff | tree | snapshot
2015-01-14 Mark AbrahamFix and suppress warnings on BlueGene/Q commit | commitdiff | tree | snapshot
2015-01-14 Mark AbrahamRefactor OpenMP initialization commit | commitdiff | tree | snapshot
2015-01-14 Mark AbrahamRemove temporary symlinks from pre-5.0 tool names commit | commitdiff | tree | snapshot
2015-01-09 Mark AbrahamRemove mdrun -testverlet commit | commitdiff | tree | snapshot
2015-01-08 Teemu MurtolaRefactor logic for finding share/top/ files commit | commitdiff | tree | snapshot
2015-01-08 Mark AbrahamHandle ivec* correctly in DD error message commit | commitdiff | tree | snapshot
2015-01-08 Mark AbrahamFix floating-point exception commit | commitdiff | tree | snapshot
2015-01-08 Teemu MurtolaClosed some .xvg files that were being left open commit | commitdiff | tree | snapshot
2015-01-07 Teemu MurtolaCustom program context for unit tests commit | commitdiff | tree | snapshot
2015-01-07 Teemu MurtolaSplit unit test init from testoptions.cpp commit | commitdiff | tree | snapshot
2015-01-06 Teemu MurtolaUse analysis nbsearch for surface area calculation commit | commitdiff | tree | snapshot
2015-01-06 Teemu MurtolaUse xvgrclose() for files opened with xvgropen() commit | commitdiff | tree | snapshot
2015-01-05 Teemu MurtolaSupport subset of rvec array as input for analysis... commit | commitdiff | tree | snapshot
2015-01-05 Teemu MurtolaMinimal C++ replacement for rvec commit | commitdiff | tree | snapshot
2015-01-05 Teemu MurtolaClarify GMX_MPI management commit | commitdiff | tree | snapshot
2015-01-05 Roland SchulzEnable fp-exceptions commit | commitdiff | tree | snapshot
2015-01-03 Teemu MurtolaMinor selection clarifications commit | commitdiff | tree | snapshot
2015-01-03 Teemu MurtolaFix crash with 'z of ...' within an expression commit | commitdiff | tree | snapshot
2015-01-02 Teemu MurtolaUpdate copyright year in copyrite.cpp commit | commitdiff | tree | snapshot
2014-12-28 Teemu MurtolaConvert gmx-insert-molecules into proper C++ module commit | commitdiff | tree | snapshot
2014-12-28 Teemu MurtolaAdd helper for generic C++ command-line modules commit | commitdiff | tree | snapshot
2014-12-22 Berk HessFixed pbc=xy + 2 walls + Verlet scheme commit | commitdiff | tree | snapshot
2014-12-22 Berk HessFix bug FE + GPU + 2/3D domain decomposition commit | commitdiff | tree | snapshot
2014-12-18 Teemu MurtolaRework gmx-solvate to use analysis nbsearch commit | commitdiff | tree | snapshot
2014-12-18 Roland SchulzFix CMP0054 cmake 3.1.0 warnings commit | commitdiff | tree | snapshot
2014-12-17 Teemu MurtolaMake 'gmx sasa' calculation thread-safe commit | commitdiff | tree | snapshot
2014-12-17 Teemu MurtolaRemove some backwards-compatibility glue for Jenkins commit | commitdiff | tree | snapshot
2014-12-17 Roland SchulzMerge "Merge branch 'release-5-0'" commit | commitdiff | tree | snapshot
2014-12-17 Roland SchulzFix cppcheck-1.67 warnings commit | commitdiff | tree | snapshot
2014-12-16 Teemu MurtolaMake 'gmx sasa' volume computation translation-invariant commit | commitdiff | tree | snapshot
2014-12-16 Mark AbrahamMove code to prepare for GPU interface rework commit | commitdiff | tree | snapshot
2014-12-15 Mark AbrahamMerge branch 'release-5-0' commit | commitdiff | tree | snapshot
2014-12-15 Roland SchulzFix NVML detection on Windows commit | commitdiff | tree | snapshot
2014-12-15 Mark AbrahamRemoving iteration + constraints framework commit | commitdiff | tree | snapshot
2014-12-15 Mark AbrahamVersion bumps after new release commit | commitdiff | tree | snapshot
2014-12-15 Mark AbrahamVersion 5.0.4 commit | commitdiff | tree | snapshot
2014-12-15 Mark AbrahamFix constraints checks in grompp commit | commitdiff | tree | snapshot
2014-12-15 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 commit | commitdiff | tree | snapshot
2014-12-15 Teemu MurtolaUse new XML format with cppcheck commit | commitdiff | tree | snapshot
2014-12-14 Teemu MurtolaC++ interface for surface area calculation commit | commitdiff | tree | snapshot
2014-12-13 Roland SchulzUse bitmask for bonded commit | commitdiff | tree | snapshot
2014-12-13 David van der... Four new quotes from around the world. commit | commitdiff | tree | snapshot
2014-12-13 Mark AbrahamRemove heuristic group-scheme neighbour-list updates commit | commitdiff | tree | snapshot
2014-12-13 Mark AbrahamFix latent bug in OpenMP initialization commit | commitdiff | tree | snapshot
2014-12-12 Mark AbrahamAdd StringFormatter and formatAndJoin to stringutil commit | commitdiff | tree | snapshot
2014-12-11 Teemu MurtolaConvert gmx rdf to the C++ framework commit | commitdiff | tree | snapshot
2014-12-11 Mark AbrahamMerge release-4-6 into release-5-0 commit | commitdiff | tree | snapshot
2014-12-11 Berk HessAdded grompp error for pulling to negative distance commit | commitdiff | tree | snapshot
2014-12-10 Szilard PallFix nstep command line override print commit | commitdiff | tree | snapshot
2014-12-10 Teemu MurtolaFix misc. analysis neighborhood search issues commit | commitdiff | tree | snapshot
2014-12-09 Teemu MurtolaTrack locations for selection parsing products commit | commitdiff | tree | snapshot
2014-12-09 Berk HessFix recent bug with trilinic 1D DD commit | commitdiff | tree | snapshot
2014-12-09 Mark AbrahamVersion bumps after new release commit | commitdiff | tree | snapshot
2014-12-09 Mark AbrahamVersion 5.0.3 commit | commitdiff | tree | snapshot
2014-12-09 Carsten KutznerMake tune_pme understand the "-nsteps" option. Fixes... commit | commitdiff | tree | snapshot
2014-12-08 Mark AbrahamMerge "Merge release-5-0 into master" commit | commitdiff | tree | snapshot
2014-12-08 Teemu MurtolaRectangular grid for analysis nbsearch commit | commitdiff | tree | snapshot
2014-12-08 Berk HessFixed pull coord init with rate!=0, t_start!=0 commit | commitdiff | tree | snapshot
2014-12-08 Mark AbrahamFix group-scheme bug with changing LJ parameters in FE commit | commitdiff | tree | snapshot
2014-12-08 Berk HessAdded PBC note to comm-mode=angular warning commit | commitdiff | tree | snapshot
2014-12-08 Carsten KutznerFixed a typo in the manual. commit | commitdiff | tree | snapshot
2014-12-08 Mark AbrahamAdd basic GPU support for gmx tune-pme commit | commitdiff | tree | snapshot
2014-12-07 Roland SchulzMerge release-5-0 into master commit | commitdiff | tree | snapshot
2014-12-06 Teemu MurtolaSimplify analysisdata parallelism model commit | commitdiff | tree | snapshot
2014-12-05 Jiri KrausAdd optional NVIDIA Management Library (NVML) Integration commit | commitdiff | tree | snapshot
2014-12-05 Mark AbrahamClean up non-PME part of ewald module commit | commitdiff | tree | snapshot
2014-12-05 Mark AbrahamMake mdrun print the list of compatible GPUs commit | commitdiff | tree | snapshot
2014-12-05 Mark AbrahamMove threading support into listed-forces module commit | commitdiff | tree | snapshot
2014-12-05 Mark AbrahamCreated do_force_listed and moved code to the module commit | commitdiff | tree | snapshot
2014-12-05 Berk HessMake domdec a proper module commit | commitdiff | tree | snapshot
2014-12-05 Berk HessClarified grompp pull error messages commit | commitdiff | tree | snapshot
2014-12-05 Teemu MurtolaImprove selection parsing error reporting commit | commitdiff | tree | snapshot
2014-12-05 Berk HessAvoid race on dvdl with Verlet+OpenMP+LINCS+FE+VV commit | commitdiff | tree | snapshot
2014-12-05 Teemu MurtolaNon-periodic nbsearch with grid based on bounding box commit | commitdiff | tree | snapshot
2014-12-04 Teemu MurtolaMove/add uncrustify documentation to dev manual commit | commitdiff | tree | snapshot
2014-12-02 Teemu MurtolaAdd 'gmx pairdist' tool as partial g_mindist replacement commit | commitdiff | tree | snapshot
2014-12-02 Teemu MurtolaAnalysis grid nbsearch for more cases commit | commitdiff | tree | snapshot
2014-12-01 Berk HessAdded warning for unnecessary soft-core commit | commitdiff | tree | snapshot
2014-11-29 Teemu MurtolaBasic support for 'z of ...' selections commit | commitdiff | tree | snapshot
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