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alexxy/gromacs.git
2014-03-05 Mark AbrahamMerge "Merge release-4-6 into master" commit | commitdiff | tree | snapshot
2014-03-05 Berk HessBuffer estimate now works with rvd-switch=0 commit | commitdiff | tree | snapshot
2014-03-05 Roland SchulzCheck zlib can actually be linked commit | commitdiff | tree | snapshot
2014-03-05 Roland SchulzAvoid segfault when comparing tpr commit | commitdiff | tree | snapshot
2014-03-04 Mark AbrahamAdd enum and docs for using tpx_version commit | commitdiff | tree | snapshot
2014-03-03 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2014-03-03 Mark AbrahamFix calling SIMD group kernels commit | commitdiff | tree | snapshot
2014-03-02 Teemu MurtolaFix incorrect grid cell size in g_sas -nopbc commit | commitdiff | tree | snapshot
2014-03-01 Teemu MurtolaMove default library path search to program context commit | commitdiff | tree | snapshot
2014-03-01 Mark AbrahamAdd fatal error for Andersen+constraints+DD commit | commitdiff | tree | snapshot
2014-03-01 Christoph Junghansswitch ld_seed from int to gmx_int64_t commit | commitdiff | tree | snapshot
2014-03-01 Szilard PallAdded CUDA LJ-PME nbnxn kernels commit | commitdiff | tree | snapshot
2014-03-01 Magnus LundborgBumped TNG to latest version. commit | commitdiff | tree | snapshot
2014-02-28 Szilard PallImproved CUDA non-bonded kernel performance commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaResidual SIMD Doxygen improvements commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaMisc. Doxygen configuration changes commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaConvert gmx-sas to the C++ framework commit | commitdiff | tree | snapshot
2014-02-28 Teemu MurtolaAdd support for non-uniform X axis in array data commit | commitdiff | tree | snapshot
2014-02-27 Teemu MurtolaImprove support for data sets in C++ tools commit | commitdiff | tree | snapshot
2014-02-27 Szilard PallCUDA kernels for switched LJ commit | commitdiff | tree | snapshot
2014-02-27 Teemu MurtolaImprove floating point comparisons in unit tests commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzRemove Cygwin+MingW from installguide commit | commitdiff | tree | snapshot
2014-02-26 Berk HessFree-energy now works with the Verlet scheme commit | commitdiff | tree | snapshot
2014-02-26 Alexey ShvetsovFix -Wmaybe-uninitialized warnings in some files commit | commitdiff | tree | snapshot
2014-02-26 Teemu MurtolaMisc. Doxygen build system improvements commit | commitdiff | tree | snapshot
2014-02-26 Erik LindahlAdded message to warn that group kernels are deprecated. commit | commitdiff | tree | snapshot
2014-02-26 Michael ShirtsUpdating and improving Andersen thermostat documentation commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzICC aliasing optimization flags commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzUse reduce in pme commit | commitdiff | tree | snapshot
2014-02-26 Erik LindahlRedesigned SIMD module and unit tests. commit | commitdiff | tree | snapshot
2014-02-26 Roland SchulzReplace all mdrun rngs with cycle based rng commit | commitdiff | tree | snapshot
2014-02-26 Teemu MurtolaFix GMX_PRIu32 and GMX_PRIu64 for MSVC commit | commitdiff | tree | snapshot
2014-02-26 Mark AbrahamAdd ThreadSanitizer build type commit | commitdiff | tree | snapshot
2014-02-25 Berk HessFixes seperate PME nodes without LJ-PME commit | commitdiff | tree | snapshot
2014-02-25 Mark AbrahamKeep compilers happy on BG/Q commit | commitdiff | tree | snapshot
2014-02-24 Mark AbrahamClean up options for domain decomposition commit | commitdiff | tree | snapshot
2014-02-24 Berk HessImplemented LJ-PME nbnxn kernels commit | commitdiff | tree | snapshot
2014-02-24 Berk HessFixed bug with LJ pot-switch in 4xN kernels commit | commitdiff | tree | snapshot
2014-02-24 Mark AbrahamPermit warning-free use of Andersen thermostat commit | commitdiff | tree | snapshot
2014-02-24 Mark AbrahamSuppress icc warning for Boost 1.55 use of #pragma... commit | commitdiff | tree | snapshot
2014-02-23 Rossen ApostolovRemoved deprecated Encad FF. commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzFix load_lj_pair_params2 for MIC commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzUpdated Boost to latest 1.55.0 commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzMerge "Merge release-4-6 into master" commit | commitdiff | tree | snapshot
2014-02-21 Nina FischerAdded new amber99sb-ildn-bsc0 force field. commit | commitdiff | tree | snapshot
2014-02-21 Szilard Pallportability aspects in install guide + minor tweaks commit | commitdiff | tree | snapshot
2014-02-21 Roland SchulzMerge release-4-6 into master commit | commitdiff | tree | snapshot
2014-02-21 Mark AbrahamReinstate shell code with DD commit | commitdiff | tree | snapshot
2014-02-20 Mark AbrahamRemove particle decomposition commit | commitdiff | tree | snapshot
2014-02-20 Christoph Junghansadded gmx_is_{single,double}_precision commit | commitdiff | tree | snapshot
2014-02-20 Roland SchulzFix aligned store to unaligned memory commit | commitdiff | tree | snapshot
2014-02-20 Mark Abrahamavoid mdrun crash when rdtscp is not supported commit | commitdiff | tree | snapshot
2014-02-20 Mark AbrahamAdd integration tests for replica exchange commit | commitdiff | tree | snapshot
2014-02-20 Rossen ApostolovRename ffopen and ffclose to gmx_ff*. commit | commitdiff | tree | snapshot
2014-02-20 Roland SchulzFix Reference Build commit | commitdiff | tree | snapshot
2014-02-20 Teemu MurtolaAdd documentation for using Doxygen commit | commitdiff | tree | snapshot
2014-02-19 Berk HessImplemented nbnxn LJ switch functions commit | commitdiff | tree | snapshot
2014-02-19 Mark AbrahamMake some variable names less cryptic commit | commitdiff | tree | snapshot
2014-02-18 Mark AbrahamFix outstanding references to "CPU acceleration" commit | commitdiff | tree | snapshot
2014-02-18 Mark AbrahamFix harmless bug with combination of group and twin... commit | commitdiff | tree | snapshot
2014-02-18 Mark AbrahamExtend TestFileManager commit | commitdiff | tree | snapshot
2014-02-17 Roland SchulzEnable more warnings commit | commitdiff | tree | snapshot
2014-02-16 Mark AbrahamFix test reference data accidentally broken commit | commitdiff | tree | snapshot
2014-02-16 Mark AbrahamRemove support for .g87 and .xyz I/O formats commit | commitdiff | tree | snapshot
2014-02-16 Carsten KutznerSmall enhancement of computational electrophysiology... commit | commitdiff | tree | snapshot
2014-02-16 Teemu MurtolaImprove man page formatting slightly commit | commitdiff | tree | snapshot
2014-02-16 Teemu MurtolaFix default enum values in help output commit | commitdiff | tree | snapshot
2014-02-15 Teemu MurtolaFix some broken links in HTML pages commit | commitdiff | tree | snapshot
2014-02-13 Magnus LundborgOne more bump of the TNG version. commit | commitdiff | tree | snapshot
2014-02-13 Magnus LundborgRemoved option to use OpenMP with the TNG library. commit | commitdiff | tree | snapshot
2014-02-12 Magnus LundborgEnable TNG builds on Windows by default. commit | commitdiff | tree | snapshot
2014-02-12 Magnus LundborgBumped TNG to latest version. commit | commitdiff | tree | snapshot
2014-02-12 Mark AbrahamRefactored 'solvate' and 'insert-molecules' commit | commitdiff | tree | snapshot
2014-02-12 Mark AbrahamRe-fix compiler warnings with scanner.cpp commit | commitdiff | tree | snapshot
2014-02-11 Mark AbrahamSplit genbox into 'solvate' and 'insert-molecules' commit | commitdiff | tree | snapshot
2014-02-11 David van der... Fixed another vmdio issue. commit | commitdiff | tree | snapshot
2014-02-11 Mark AbrahamUpdate stuff for old BlueGene commit | commitdiff | tree | snapshot
2014-02-11 Erik LindahlFirst part of commit for redesigned SIMD module - namec... commit | commitdiff | tree | snapshot
2014-02-11 Magnus LundborgAdded information about how to cite the TNG paper. commit | commitdiff | tree | snapshot
2014-02-11 Jan Henning... Added safety check for fitting group in anaeig. commit | commitdiff | tree | snapshot
2014-02-10 David van der... Moved conditional cmake code for vmdio. commit | commitdiff | tree | snapshot
2014-02-09 Teemu MurtolaShell completions through Options commit | commitdiff | tree | snapshot
2014-02-09 Mark AbrahamMove orientation restraints checks inside init function commit | commitdiff | tree | snapshot
2014-02-09 Teemu MurtolaMake 'gmx -h' invariant wrt. provided options commit | commitdiff | tree | snapshot
2014-02-09 Teemu MurtolaRemove old help formatting code commit | commitdiff | tree | snapshot
2014-02-09 Teemu MurtolaMake FileNameOption behave more like old filenm parser commit | commitdiff | tree | snapshot
2014-02-09 Teemu MurtolaImplement synopsis for help output commit | commitdiff | tree | snapshot
2014-02-09 Teemu MurtolaRefactor new help formatting implementation commit | commitdiff | tree | snapshot
2014-02-08 Mark AbrahamClean up .log file dump of inputrec commit | commitdiff | tree | snapshot
2014-02-08 Mark AbrahamIssue fatal errors rather than use broken shell code commit | commitdiff | tree | snapshot
2014-02-08 Teemu MurtolaFix & update docs for GMX_TEST_OPTIONS commit | commitdiff | tree | snapshot
2014-02-07 Mark AbrahamInitialize inputrec better in genbox commit | commitdiff | tree | snapshot
2014-02-06 Teemu MurtolaFix build of share/template when installed commit | commitdiff | tree | snapshot
2014-02-06 Michael ShirtsEE dhdl header should not specify one lambda commit | commitdiff | tree | snapshot
2014-02-06 Mark AbrahamRemove antiquated and unused gmxpar.tex documentation commit | commitdiff | tree | snapshot
2014-02-06 Roland SchulzUse random seeds by default commit | commitdiff | tree | snapshot
2014-02-05 Mark AbrahamUpdate description of genrestr commit | commitdiff | tree | snapshot
2014-02-04 Roland SchulzFix and simplify rpath commit | commitdiff | tree | snapshot
2014-02-04 Mark AbrahamUse feature to explain that tpbconv has moved commit | commitdiff | tree | snapshot
2014-02-03 Christoph Junghanscmake eats slashes commit | commitdiff | tree | snapshot
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