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alexxy/gromacs.git
2017-03-13 Teemu MurtolaImprove option support & tests for key-value trees commit | commitdiff | tree | snapshot
2017-03-13 Teemu MurtolaRemove manual alignment from InMemorySerializer commit | commitdiff | tree | snapshot
2017-03-12 Teemu MurtolaConsistent TextWriter trailing whitespace handling commit | commitdiff | tree | snapshot
2017-03-12 David van der... Added tests for gmx clustsize. commit | commitdiff | tree | snapshot
2017-03-09 Mark AbrahamRefactor GPU selection handling commit | commitdiff | tree | snapshot
2017-03-04 Teemu MurtolaRemove MDModules use from mdlib commit | commitdiff | tree | snapshot
2017-03-04 Teemu MurtolaSplit md module facets to different interfaces commit | commitdiff | tree | snapshot
2017-03-03 Aleksei IupinovRemove outdated CUDA version check commit | commitdiff | tree | snapshot
2017-03-02 Carsten KutznerRemove unnecessary include commit | commitdiff | tree | snapshot
2017-02-28 Berk HessAdd load balance fraction to DLB print commit | commitdiff | tree | snapshot
2017-02-28 Teemu MurtolaMore documentation for key-value trees commit | commitdiff | tree | snapshot
2017-02-27 Teemu MurtolaDecouple t_inputrec from MDModules commit | commitdiff | tree | snapshot
2017-02-27 Teemu MurtolaRemove module references from t_inputrec commit | commitdiff | tree | snapshot
2017-02-21 Aleksei IupinovRemove unused function cu_synchstream_atdat() commit | commitdiff | tree | snapshot
2017-02-20 Mark AbrahamAdd tests for old gmx energy functionality commit | commitdiff | tree | snapshot
2017-02-17 Mark AbrahamUse gmx::Mutex and gmx::lock_guard to fix some issues commit | commitdiff | tree | snapshot
2017-02-14 Mark AbrahamReduce compilation coupling commit | commitdiff | tree | snapshot
2017-02-10 Roland SchulzRemove duplicate AVX512 gather definitions commit | commitdiff | tree | snapshot
2017-02-10 Teemu MurtolaCheck log output in thread affinity tests commit | commitdiff | tree | snapshot
2017-02-09 Teemu MurtolaMulti-rank thread affinity tests commit | commitdiff | tree | snapshot
2017-02-09 Mark AbrahamComplete the removal of stateful RNG commit | commitdiff | tree | snapshot
2017-02-09 Mark AbrahamImproved state_change_natoms and used it more commit | commitdiff | tree | snapshot
2017-02-09 Mark AbrahamRemove EST_DISTR from state.h commit | commitdiff | tree | snapshot
2017-02-09 Mark AbrahamEnhance warninp commit | commitdiff | tree | snapshot
2017-02-09 Aleksei IupinovAdd initialization to dvdlambda in bonded forces tests commit | commitdiff | tree | snapshot
2017-02-09 Teemu MurtolaDocument key-value tree transforms and improve checks commit | commitdiff | tree | snapshot
2017-02-09 Aleksei IupinovFix typo (Dihedarl -> Dihedral) commit | commitdiff | tree | snapshot
2017-02-09 Teemu MurtolaOverview documentation for new mdp input scheme commit | commitdiff | tree | snapshot
2017-02-08 Mark AbrahamExtend serialization to gmx_int64_t commit | commitdiff | tree | snapshot
2017-02-08 Teemu MurtolaGeneric KeyValueTree broadcast commit | commitdiff | tree | snapshot
2017-02-08 Teemu MurtolaGeneric gmx check implementation with KeyValueTree commit | commitdiff | tree | snapshot
2017-02-08 Teemu MurtolaGeneric gmx dump implementation for KeyValueTree commit | commitdiff | tree | snapshot
2017-02-08 Roland SchulzAVX512: Use double-sized gather for pairs of floats commit | commitdiff | tree | snapshot
2017-02-08 Gerrit Code... Merge "Merge branch release-2016" commit | commitdiff | tree | snapshot
2017-02-08 Teemu MurtolaGeneric tpr handling for electric field commit | commitdiff | tree | snapshot
2017-02-08 Mark AbrahamCreate applied-forces module group commit | commitdiff | tree | snapshot
2017-02-08 Aleksei IupinovPME force gathering tests commit | commitdiff | tree | snapshot
2017-02-08 Aleksei IupinovFix invalid triclinic box in the PME test data commit | commitdiff | tree | snapshot
2017-02-08 Mark AbrahamGive MDModules responsibility for option handling commit | commitdiff | tree | snapshot
2017-02-07 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2017-02-07 Mark AbrahamBumped version to prepare for next patch release commit | commitdiff | tree | snapshot
2017-02-07 Mark AbrahamIntroduced system preparation section to user guide commit | commitdiff | tree | snapshot
2017-02-07 Mark AbrahamVersion 2016.2 commit | commitdiff | tree | snapshot
2017-02-07 Berk HessAdd mdp option check with decoupled modes commit | commitdiff | tree | snapshot
2017-02-05 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2017-02-03 David van der... Fixes SEGV in gmx order. commit | commitdiff | tree | snapshot
2017-02-03 Mark AbrahamRemove typedef struct in some mdtypes files commit | commitdiff | tree | snapshot
2017-02-02 Mark AbrahamClarify use of tau-p and pcoupltype commit | commitdiff | tree | snapshot
2017-02-02 Berk HessReally fix array of complex in cross_corr commit | commitdiff | tree | snapshot
2017-02-02 Berk HessFix array of complex in cross_corr commit | commitdiff | tree | snapshot
2017-02-02 David van der... Only print all dangling atoms with grompp -v commit | commitdiff | tree | snapshot
2017-01-31 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2017-01-30 Mark AbrahamFix multi-domain reruns commit | commitdiff | tree | snapshot
2017-01-30 Mark AbrahamDon't print invalid performance data commit | commitdiff | tree | snapshot
2017-01-24 Aleksei IupinovPME spline computation and charge spreading tests commit | commitdiff | tree | snapshot
2017-01-24 Szilárd PállRemove unused argument in GPU kernels commit | commitdiff | tree | snapshot
2017-01-24 Aleksei IupinovAdd const qualifier to some PME spread arguments commit | commitdiff | tree | snapshot
2017-01-23 Mark AbrahamStopped header files including state.h commit | commitdiff | tree | snapshot
2017-01-23 David van der... Added reference for dihedral function in OPLS. commit | commitdiff | tree | snapshot
2017-01-22 Mark AbrahamFixed gmx rmsf -q -oq. commit | commitdiff | tree | snapshot
2017-01-21 Mark AbrahamRemoved init_state commit | commitdiff | tree | snapshot
2017-01-20 Mark AbrahamInitialize GMX_*_LIBRARIES cmake variables earlier commit | commitdiff | tree | snapshot
2017-01-20 Berk HessDisallow overwriting of dihedral type 9 commit | commitdiff | tree | snapshot
2017-01-20 Roland SchulzFix missing break in switch commit | commitdiff | tree | snapshot
2017-01-20 Berk HessOnly predict shells with velocities commit | commitdiff | tree | snapshot
2017-01-19 Aleksei IupinovSimplify gmx_count_gpu_dev_unique() commit | commitdiff | tree | snapshot
2017-01-19 Aleksei IupinovPME B-Spline moduli computation unit test commit | commitdiff | tree | snapshot
2017-01-19 Berk HessFix PME order and grid size checks commit | commitdiff | tree | snapshot
2017-01-18 Roland SchulzAdd AlignedArray commit | commitdiff | tree | snapshot
2017-01-17 Berk HessCorrect assert on pme-order commit | commitdiff | tree | snapshot
2017-01-14 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2017-01-13 Roland SchulzEnable uncrustify for template commit | commitdiff | tree | snapshot
2017-01-11 Roland SchulzTidy: modernize-use-nullptr commit | commitdiff | tree | snapshot
2017-01-10 Roland SchulzFix AVX512 issues in debug mode commit | commitdiff | tree | snapshot
2017-01-06 Mark AbrahamDocument ISerializer class commit | commitdiff | tree | snapshot
2017-01-05 Roland SchulzSupress ICC 16 on Windows false postives commit | commitdiff | tree | snapshot
2017-01-05 Roland SchulzFix copyright year of previous commit commit | commitdiff | tree | snapshot
2017-01-05 Berk HessFix flat-bottom position restraints + DD + OpenMP commit | commitdiff | tree | snapshot
2017-01-05 Aleksei IupinovFix compilation with CMAKE_CXX_FLAGS="-Wall -Werror" commit | commitdiff | tree | snapshot
2017-01-05 Roland SchulzFix unitialized memory access commit | commitdiff | tree | snapshot
2017-01-05 Gerrit Code... Merge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2017-01-04 Mark AbrahamStop trying to use objdump --reloc on Mac commit | commitdiff | tree | snapshot
2017-01-04 Mark AbrahamFix documentation of OptionsVisitor commit | commitdiff | tree | snapshot
2017-01-03 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-12-22 Aleksei IupinovRemove unused member thread_one from the PME spline... commit | commitdiff | tree | snapshot
2016-12-20 Mark AbrahamCorrected documentation about eigenvalue handling commit | commitdiff | tree | snapshot
2016-12-20 Gerrit Code... Merge "Merge branch release-2016" commit | commitdiff | tree | snapshot
2016-12-20 Mark AbrahamImprove build system for plugin support commit | commitdiff | tree | snapshot
2016-12-20 Mark AbrahamSanitize some include headers commit | commitdiff | tree | snapshot
2016-12-20 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-12-15 M. Eric IrrgangFix syntax in cmake status message commit | commitdiff | tree | snapshot
2016-12-15 Roland SchulzAdd create_unique_with_deleter commit | commitdiff | tree | snapshot
2016-12-15 Roland SchulzReplace scoped_cptr with unique_cptr commit | commitdiff | tree | snapshot
2016-12-15 Vedran MiletićImprove include sorter error reporting commit | commitdiff | tree | snapshot
2016-12-15 Mark AbrahamRemoved support for multiple entries in mdp files commit | commitdiff | tree | snapshot
2016-12-15 Mark AbrahamHandle warninp correctly in xpm2ps and membed commit | commitdiff | tree | snapshot
2016-12-14 Mark AbrahamFix misleading parallelization docs for gmx wham commit | commitdiff | tree | snapshot
2016-12-14 Berk HessAdd bonded #thread runtime check commit | commitdiff | tree | snapshot
2016-12-12 Teemu MurtolaMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-12-10 Teemu MurtolaMinor CMake cleanup & modernization commit | commitdiff | tree | snapshot
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