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Updated TNG to version 1.8
[alexxy/gromacs.git] / src /
2017-06-11 Magnus LundborgUpdated TNG to version 1.8 tree | commitdiff
2017-06-10 Berk HessPut replica exchange parameters in a struct tree | commitdiff
2017-06-09 Carsten KutznerMoved essential dynamics initialization call into do_md() tree | commitdiff
2017-06-09 Berk HessReplace iso by instead of tree | commitdiff
2017-06-09 Carsten KutznerAdopt and document implementation policy for MD modules tree | commitdiff
2017-06-07 Berk HessAvoid grompp charge warning with rounding tree | commitdiff
2017-06-04 Berk HessFix checkpoint reading without energy history tree | commitdiff
2017-05-31 Mark AbrahamNew quote tree | commitdiff
2017-05-29 Teemu MurtolaAvoid some incorrect behavior with gmx solvate tree | commitdiff
2017-05-29 Teemu MurtolaRemove pbcutil <-> mdtypes cyclic dependency tree | commitdiff
2017-05-29 Szilárd PállQuotes are cool, typo-free ones are even "cooler" tree | commitdiff
2017-05-27 Berk HessMade duplicate atoms in bondeds an error tree | commitdiff
2017-05-27 Mark AbrahamQuotes from Gottingen workshop tree | commitdiff
2017-05-26 Berk HessImprove Verlet buffer constraint estimate tree | commitdiff
2017-05-23 Erik LindahlUpdated cool quotes tree | commitdiff
2017-05-23 Berk HessAdd conserved quantity for Berendsen P-couple tree | commitdiff
2017-05-23 Szilárd PállAdd basic doxygen for the Verlet nonbonded module tree | commitdiff
2017-05-23 Berk HessAdd conserved q. for PR and Berendsen T-couple tree | commitdiff
2017-05-23 Berk HessMake DD setup obey PME restrictions tree | commitdiff
2017-05-22 Roland SchulzRemove TMPI_ATOMICS from config.h tree | commitdiff
2017-05-22 Berk HessIntroduce ObservablesHistory container tree | commitdiff
2017-05-16 Berk HessFix confout.gro with energy minimization tree | commitdiff
2017-05-14 Justin LemkulClarifications to editconf help text. tree | commitdiff
2017-05-11 Teemu MurtolaGeneralize command-line test output file checking tree | commitdiff
2017-05-09 Mark AbrahamMerge branch release-2016 tree | commitdiff
2017-05-09 Mark AbrahamCleaned up memory usage in gmx traj and trjconv tree | commitdiff
2017-05-01 David van der SpoelXpm test for gmx clustsize tree | commitdiff
2017-04-29 Carsten KutznerMinor header file cleanup in ED, IMD and CompEL modules tree | commitdiff
2017-04-22 Mark AbrahamClean up memory usage with oenv and xvg writing tree | commitdiff
2017-04-21 Berk HessFix bugs in double AVX(2)_256 Simd4 tree | commitdiff
2017-04-19 Carsten KutznerRemove unused forward declarations of t_commrec in... tree | commitdiff
2017-04-19 Berk HessFix unused SIMD PME table kernel tree | commitdiff
2017-04-18 Berk HessSuppress two compiler warnings tree | commitdiff
2017-04-17 Mark AbrahamMinor change to GPU compatibility reporting handling tree | commitdiff
2017-04-17 Mark AbrahamPropose a post-submit matrix tree | commitdiff
2017-04-17 Teemu MurtolaConsistent approach for whole-program tests tree | commitdiff
2017-04-11 Teemu MurtolaImprove key-value tree gmx dump support tree | commitdiff
2017-04-10 Vedran MiletićReally enable avx512 in fftw only for select compilers tree | commitdiff
2017-04-06 Teemu MurtolaFix memory access issues in gmx solvate tree | commitdiff
2017-04-06 Teemu MurtolaConsistent naming for gmxana tests tree | commitdiff
2017-04-04 Teemu MurtolaUtility functions for formatting string values tree | commitdiff
2017-04-03 Mark AbrahamRemove do_pbc_first tree | commitdiff
2017-03-31 Mark AbrahamMerge branch release-2016 tree | commitdiff
2017-03-29 Szilárd PállRefactor CUDA kernel use of tables tree | commitdiff
2017-03-29 Szilárd PállAdd CUDA util function for constant loads tree | commitdiff
2017-03-25 Szilárd PállConditional tweak in the nonbonded GPU kernels tree | commitdiff
2017-03-19 Erik LindahlUse OpenMP up to 16 threads with AMD Ryzen tree | commitdiff
2017-03-19 Erik Lindahl128-bit AVX2 SIMD for AMD Ryzen tree | commitdiff
2017-03-19 Mark AbrahamFix string handling for gcc 7 tree | commitdiff
2017-03-18 Gerrit Code ReviewMerge "Merge branch release-2016" tree | commitdiff
2017-03-17 Szilárd PállAllow bypassing OpenCL device compatibility check tree | commitdiff
2017-03-17 Aleksei IupinovFix dereferencing nullptr in PME solve work destructor tree | commitdiff
2017-03-16 Szilárd PállPrint code of unknown OpenCL error tree | commitdiff
2017-03-14 Erik LindahlFix gcc compiles of AVX-512 SIMD tree | commitdiff
2017-03-14 Mark AbrahamMerge branch release-2016 tree | commitdiff
2017-03-14 Berk HessMake grompp -r obligatory with posres tree | commitdiff
2017-03-13 Mark AbrahamModernize write_inpfile tree | commitdiff
2017-03-13 Mark AbrahamModernize read_inpfile tree | commitdiff
2017-03-13 Ake SandgrenFix tune_pme detection of GPU support tree | commitdiff
2017-03-13 Ake SandgrenFix spacing in tune_pme call to thread-mpi mdrun tree | commitdiff
2017-03-13 Mark AbrahamTests for grompp -f -po tree | commitdiff
2017-03-13 Teemu MurtolaImprove option support & tests for key-value trees tree | commitdiff
2017-03-13 Teemu MurtolaRemove manual alignment from InMemorySerializer tree | commitdiff
2017-03-12 Teemu MurtolaConsistent TextWriter trailing whitespace handling tree | commitdiff
2017-03-12 David van der SpoelAdded tests for gmx clustsize. tree | commitdiff
2017-03-11 Teemu MurtolaUpdate copyright year for gmx -version tree | commitdiff
2017-03-09 Szilárd PállFix mdrun hanging upon exit with sep PME ranks tree | commitdiff
2017-03-09 Mark AbrahamRefactor GPU selection handling tree | commitdiff
2017-03-07 Mark AbrahamFix minor issues in gmx traj -av -af tree | commitdiff
2017-03-04 Teemu MurtolaRemove MDModules use from mdlib tree | commitdiff
2017-03-04 David van der SpoelRemoves rogue printing to xvg file in gmx mindist tree | commitdiff
2017-03-04 Teemu MurtolaSplit md module facets to different interfaces tree | commitdiff
2017-03-04 Mark AbrahamFixes for xl compilers 13.1.5 on Power8 tree | commitdiff
2017-03-03 Aleksei IupinovRemove outdated CUDA version check tree | commitdiff
2017-03-02 Carsten KutznerRemove unnecessary include tree | commitdiff
2017-03-01 Vedran MiletićEnable avx512 in fftw only if compiler supports it tree | commitdiff
2017-02-28 Berk HessAdd load balance fraction to DLB print tree | commitdiff
2017-02-28 Gerrit Code ReviewMerge "Merge branch release-5-1 into release-2016"... tree | commitdiff
2017-02-28 Teemu MurtolaMore documentation for key-value trees tree | commitdiff
2017-02-27 David van der SpoelFixes bug in gmx solvate with -shell that yielded 0... tree | commitdiff
2017-02-27 Teemu MurtolaDecouple t_inputrec from MDModules tree | commitdiff
2017-02-27 Teemu MurtolaRemove module references from t_inputrec tree | commitdiff
2017-02-25 Michael ShirtsFix for an incorrect check that nstlog !=0 tree | commitdiff
2017-02-23 Roland SchulzFix compile of GMX_SIMD=None with ICC tree | commitdiff
2017-02-21 Aleksei IupinovRemove unused function cu_synchstream_atdat() tree | commitdiff
2017-02-20 Mark AbrahamAdd tests for old gmx energy functionality tree | commitdiff
2017-02-17 Mark AbrahamUse gmx::Mutex and gmx::lock_guard to fix some issues tree | commitdiff
2017-02-15 Mark AbrahamMerge branch release-5-1 into release-2016 tree | commitdiff
2017-02-14 Mark AbrahamFix handling of previous virials tree | commitdiff
2017-02-14 Mark AbrahamReduce compilation coupling tree | commitdiff
2017-02-10 Mark AbrahamCorrected output of gmx do_dssp -sc tree | commitdiff
2017-02-10 Roland SchulzRemove duplicate AVX512 gather definitions tree | commitdiff
2017-02-10 Teemu MurtolaCheck log output in thread affinity tests tree | commitdiff
2017-02-09 Teemu MurtolaMulti-rank thread affinity tests tree | commitdiff
2017-02-09 Mark AbrahamComplete the removal of stateful RNG tree | commitdiff
2017-02-09 Mark AbrahamImproved state_change_natoms and used it more tree | commitdiff
2017-02-09 Erik LindahlWork around false xlc-13.1.5 bug in SIMD test tree | commitdiff
2017-02-09 Mark AbrahamRemove EST_DISTR from state.h tree | commitdiff
2017-02-09 Mark AbrahamEnhance warninp tree | commitdiff
2017-02-09 Aleksei IupinovAdd initialization to dvdlambda in bonded forces tests tree | commitdiff
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