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alexxy/gromacs.git
2017-05-26 Berk HessImprove Verlet buffer constraint estimate commit | commitdiff | tree | snapshot
2017-05-23 Erik LindahlUpdated cool quotes commit | commitdiff | tree | snapshot
2017-05-23 Berk HessAdd conserved quantity for Berendsen P-couple commit | commitdiff | tree | snapshot
2017-05-23 Szilárd PállAdd basic doxygen for the Verlet nonbonded module commit | commitdiff | tree | snapshot
2017-05-23 Berk HessAdd conserved q. for PR and Berendsen T-couple commit | commitdiff | tree | snapshot
2017-05-23 Berk HessMake DD setup obey PME restrictions commit | commitdiff | tree | snapshot
2017-05-22 Roland SchulzRemove TMPI_ATOMICS from config.h commit | commitdiff | tree | snapshot
2017-05-22 Berk HessIntroduce ObservablesHistory container commit | commitdiff | tree | snapshot
2017-05-16 Berk HessFix confout.gro with energy minimization commit | commitdiff | tree | snapshot
2017-05-15 Mark AbrahamUpdated use of compiler specifiers in testing commit | commitdiff | tree | snapshot
2017-05-15 Mark AbrahamUpdate clang static analyzer slave to use version 4 commit | commitdiff | tree | snapshot
2017-05-14 Mark AbrahamUpdate clang-4 commit | commitdiff | tree | snapshot
2017-05-14 Justin LemkulClarifications to editconf help text. commit | commitdiff | tree | snapshot
2017-05-11 Roland SchulzRemove static-intel from default flags commit | commitdiff | tree | snapshot
2017-05-11 Teemu MurtolaGeneralize command-line test output file checking commit | commitdiff | tree | snapshot
2017-05-09 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2017-05-09 Mark AbrahamCleaned up memory usage in gmx traj and trjconv commit | commitdiff | tree | snapshot
2017-05-01 David van der... Xpm test for gmx clustsize commit | commitdiff | tree | snapshot
2017-04-29 Carsten KutznerMinor header file cleanup in ED, IMD and CompEL modules commit | commitdiff | tree | snapshot
2017-04-22 M. Eric Irrgangignore OS X Finder metadata commit | commitdiff | tree | snapshot
2017-04-22 M. Eric Irrgangsort ignored file extensions commit | commitdiff | tree | snapshot
2017-04-22 M. Eric Irrgangignore g++ precompiler header output commit | commitdiff | tree | snapshot
2017-04-22 Mark AbrahamClean up memory usage with oenv and xvg writing commit | commitdiff | tree | snapshot
2017-04-21 Berk HessFix bugs in double AVX(2)_256 Simd4 commit | commitdiff | tree | snapshot
2017-04-19 Carsten KutznerRemove unused forward declarations of t_commrec in... commit | commitdiff | tree | snapshot
2017-04-19 Berk HessFix unused SIMD PME table kernel commit | commitdiff | tree | snapshot
2017-04-18 Berk HessSuppress two compiler warnings commit | commitdiff | tree | snapshot
2017-04-17 Erik LindahlFixed AVX-512F compiler flags commit | commitdiff | tree | snapshot
2017-04-17 Mark AbrahamMinor change to GPU compatibility reporting handling commit | commitdiff | tree | snapshot
2017-04-17 Mark AbrahamPropose a post-submit matrix commit | commitdiff | tree | snapshot
2017-04-17 Teemu MurtolaConsistent approach for whole-program tests commit | commitdiff | tree | snapshot
2017-04-11 Teemu MurtolaImprove key-value tree gmx dump support commit | commitdiff | tree | snapshot
2017-04-10 Vedran MiletićReally enable avx512 in fftw only for select compilers commit | commitdiff | tree | snapshot
2017-04-06 Teemu MurtolaFix memory access issues in gmx solvate commit | commitdiff | tree | snapshot
2017-04-06 Teemu MurtolaConsistent naming for gmxana tests commit | commitdiff | tree | snapshot
2017-04-04 Teemu MurtolaUtility functions for formatting string values commit | commitdiff | tree | snapshot
2017-04-03 Mark AbrahamRemove do_pbc_first commit | commitdiff | tree | snapshot
2017-03-31 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2017-03-29 Mark AbrahamFix parameter description for dihedral_restraints commit | commitdiff | tree | snapshot
2017-03-29 Szilárd PállRefactor CUDA kernel use of tables commit | commitdiff | tree | snapshot
2017-03-29 Szilárd PállAdd CUDA util function for constant loads commit | commitdiff | tree | snapshot
2017-03-25 Szilárd PállConditional tweak in the nonbonded GPU kernels commit | commitdiff | tree | snapshot
2017-03-22 Mark AbrahamAdd section to user guide for managing simulations commit | commitdiff | tree | snapshot
2017-03-19 Erik LindahlUse OpenMP up to 16 threads with AMD Ryzen commit | commitdiff | tree | snapshot
2017-03-19 Erik Lindahl128-bit AVX2 SIMD for AMD Ryzen commit | commitdiff | tree | snapshot
2017-03-19 Mark AbrahamFix string handling for gcc 7 commit | commitdiff | tree | snapshot
2017-03-18 Gerrit Code... Merge "Merge branch release-2016" commit | commitdiff | tree | snapshot
2017-03-17 Szilárd PállAllow bypassing OpenCL device compatibility check commit | commitdiff | tree | snapshot
2017-03-17 M. Eric IrrgangAdd an extra verbose target for docs commit | commitdiff | tree | snapshot
2017-03-17 Aleksei IupinovFix dereferencing nullptr in PME solve work destructor commit | commitdiff | tree | snapshot
2017-03-16 Berk HessReplace instance of group by coord in pull mdp docs commit | commitdiff | tree | snapshot
2017-03-16 Szilárd PállPrint code of unknown OpenCL error commit | commitdiff | tree | snapshot
2017-03-14 Erik LindahlFix gcc compiles of AVX-512 SIMD commit | commitdiff | tree | snapshot
2017-03-14 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2017-03-14 Mark AbrahamBumped version to prepare for next patch release commit | commitdiff | tree | snapshot
2017-03-14 Berk HessMake grompp -r obligatory with posres commit | commitdiff | tree | snapshot
2017-03-13 Mark AbrahamVersion 2016.3 commit | commitdiff | tree | snapshot
2017-03-13 Mark AbrahamModernize write_inpfile commit | commitdiff | tree | snapshot
2017-03-13 Mark AbrahamModernize read_inpfile commit | commitdiff | tree | snapshot
2017-03-13 Ake SandgrenFix tune_pme detection of GPU support commit | commitdiff | tree | snapshot
2017-03-13 Ake SandgrenFix spacing in tune_pme call to thread-mpi mdrun commit | commitdiff | tree | snapshot
2017-03-13 Mark AbrahamTests for grompp -f -po commit | commitdiff | tree | snapshot
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
2017-03-11 Teemu MurtolaUpdate copyright year for gmx -version commit | commitdiff | tree | snapshot
2017-03-09 Szilárd PállFix mdrun hanging upon exit with sep PME ranks commit | commitdiff | tree | snapshot
2017-03-09 Mark AbrahamRefactor GPU selection handling commit | commitdiff | tree | snapshot
2017-03-07 Mark AbrahamFix minor issues in gmx traj -av -af commit | commitdiff | tree | snapshot
2017-03-04 Teemu MurtolaRemove MDModules use from mdlib commit | commitdiff | tree | snapshot
2017-03-04 David van der... Removes rogue printing to xvg file in gmx mindist commit | commitdiff | tree | snapshot
2017-03-04 Teemu MurtolaSplit md module facets to different interfaces commit | commitdiff | tree | snapshot
2017-03-04 Mark AbrahamFixes for xl compilers 13.1.5 on Power8 commit | commitdiff | tree | snapshot
2017-03-04 Vedran MiletićDocument that we now support AMD GCN on Mesa/LLVM 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
2017-03-01 Vedran MiletićEnable avx512 in fftw only if compiler supports it commit | commitdiff | tree | snapshot
2017-02-28 Berk HessAdd load balance fraction to DLB print commit | commitdiff | tree | snapshot
2017-02-28 Gerrit Code... Merge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2017-02-28 Teemu MurtolaMore documentation for key-value trees commit | commitdiff | tree | snapshot
2017-02-27 David van der... Fixes bug in gmx solvate with -shell that yielded 0... 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
2017-02-25 Michael ShirtsFix for an incorrect check that nstlog !=0 commit | commitdiff | tree | snapshot
2017-02-23 Roland SchulzFix compile of GMX_SIMD=None with ICC 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
2017-02-15 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2017-02-14 Mark AbrahamFix handling of previous virials commit | commitdiff | tree | snapshot
2017-02-14 Mark AbrahamReduce compilation coupling commit | commitdiff | tree | snapshot
2017-02-10 Mark AbrahamCorrected output of gmx do_dssp -sc 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 Erik LindahlWork around false xlc-13.1.5 bug in SIMD test commit | commitdiff | tree | snapshot
2017-02-09 Mark AbrahamRemove EST_DISTR from state.h commit | commitdiff | tree | snapshot
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