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alexxy/gromacs.git
2018-08-29 Mark AbrahamMerge branch release-2018 commit | commitdiff | tree | snapshot
2018-08-29 M. Eric IrrgangAllow extensible MDModules and forceProviders. commit | commitdiff | tree | snapshot
2018-08-29 Roland SchulzDocument clang-tidy libstdc++ incompatibility commit | commitdiff | tree | snapshot
2018-08-29 Berk HessRefactor wall potential calculation commit | commitdiff | tree | snapshot
2018-08-29 Roland SchulzUse more const in hardwaretopology commit | commitdiff | tree | snapshot
2018-08-29 Roland SchulzFix clang-tidy build with libstdc++ >= 7 commit | commitdiff | tree | snapshot
2018-08-29 Mark AbrahamMove clang-tidy build commit | commitdiff | tree | snapshot
2018-08-28 Mark AbrahamFix more clang-tidy issues commit | commitdiff | tree | snapshot
2018-08-28 Szilárd PállQuiet cmake about clFFT not found after first run commit | commitdiff | tree | snapshot
2018-08-28 boristimUpdates to gmx cluster commit | commitdiff | tree | snapshot
2018-08-28 Roland SchulzAdd hard limit for line length commit | commitdiff | tree | snapshot
2018-08-28 Paul BauerFix documentation build without imagemagick commit | commitdiff | tree | snapshot
2018-08-27 Mark AbrahamFix use of nullptr commit | commitdiff | tree | snapshot
2018-08-27 Aleksei IupinovPrepare pme-gpu-types.h for OpenCL commit | commitdiff | tree | snapshot
2018-08-27 Paul BauerTransfer information from old how-to section commit | commitdiff | tree | snapshot
2018-08-27 Roland SchulzEnable more clang-tidy checks for new code commit | commitdiff | tree | snapshot
2018-08-26 Alexey ShvetsovAdd basic operations for gmx::BasicVector<> commit | commitdiff | tree | snapshot
2018-08-24 Berk HessReplace gmx_hash_t by HashedMap commit | commitdiff | tree | snapshot
2018-08-24 Berk HessMerge "Merge branch release-2018" commit | commitdiff | tree | snapshot
2018-08-24 Berk HessAdd size optimization to HashedMap commit | commitdiff | tree | snapshot
2018-08-24 Berk HessAdd tests for HashedMap commit | commitdiff | tree | snapshot
2018-08-24 Mark AbrahamFix build without TNG commit | commitdiff | tree | snapshot
2018-08-24 Mark AbrahamMerge branch release-2018 commit | commitdiff | tree | snapshot
2018-08-24 Joe Jordanchange some char to string in gmxpreprocess commit | commitdiff | tree | snapshot
2018-08-23 Paul BauerUpdate to prepare for 2018.4 point release commit | commitdiff | tree | snapshot
2018-08-23 Paul BauerVersion 2018.3 commit | commitdiff | tree | snapshot
2018-08-22 Paul BauerFix trjconv when running without a structure file commit | commitdiff | tree | snapshot
2018-08-22 Mark AbrahamFix handling of counter resets commit | commitdiff | tree | snapshot
2018-08-22 Berk HessFix missing interactions with GPU and DD commit | commitdiff | tree | snapshot
2018-08-22 Joe JordanFix pdb2gmx -chainsep commit | commitdiff | tree | snapshot
2018-08-22 Mark AbrahamPermit PME on GPUs only for dynamical integrators commit | commitdiff | tree | snapshot
2018-08-21 Szilárd PállRequest flushing denorms to zero in OpenCL commit | commitdiff | tree | snapshot
2018-08-21 Berk HessEnsure domains are large enough for atom motion commit | commitdiff | tree | snapshot
2018-08-21 Berk HessFixed mdrun segv with QM/MM ONIOM scheme commit | commitdiff | tree | snapshot
2018-08-21 Mark AbrahamRe-implemented mdrun -rerun tests commit | commitdiff | tree | snapshot
2018-08-21 Mark AbrahamFix assertions for SD update commit | commitdiff | tree | snapshot
2018-08-21 Christian BlauAdd test for structural similarity measures rmsd and... commit | commitdiff | tree | snapshot
2018-08-20 Berk HessRefactor calc_verlet_buffer_size() commit | commitdiff | tree | snapshot
2018-08-20 Szilárd PállDisable single compilation unit with CUDA 9.0 commit | commitdiff | tree | snapshot
2018-08-20 Berk HessRemove compacting from DD redistribute commit | commitdiff | tree | snapshot
2018-08-20 Berk HessFix Verlet buffer estimate with BD commit | commitdiff | tree | snapshot
2018-08-20 Berk HessFix clang namespace comment warning commit | commitdiff | tree | snapshot
2018-08-20 Berk HessFix assertion failure in CG commit | commitdiff | tree | snapshot
2018-08-20 Berk HessReally fix CG with multiple domains commit | commitdiff | tree | snapshot
2018-08-20 Berk HessMake gmx_ga2la_t a proper class commit | commitdiff | tree | snapshot
2018-08-20 Roland SchulzRemove macros in utility/tests/arrayref commit | commitdiff | tree | snapshot
2018-08-19 Roland SchulzFix simd-test commit | commitdiff | tree | snapshot
2018-08-18 Berk HessAdd check for pull group PBC to grompp commit | commitdiff | tree | snapshot
2018-08-18 Roland Schulzreadability-implicit-bool-conversion 2/2 commit | commitdiff | tree | snapshot
2018-08-18 Roland Schulzreadability-implicit-bool-conversion 1/2 commit | commitdiff | tree | snapshot
2018-08-18 Roland Schulzclang-tidy modernize commit | commitdiff | tree | snapshot
2018-08-18 Roland Schulzclang-tidy: google tests applicable commit | commitdiff | tree | snapshot
2018-08-18 Roland SchulzEnable clang tidy/warnings for tests commit | commitdiff | tree | snapshot
2018-08-17 Berk HessMake pull pbc atom use LocalAtomSet commit | commitdiff | tree | snapshot
2018-08-15 Szilárd PállImprove GPU detection sanity check error message commit | commitdiff | tree | snapshot
2018-08-14 Paul BauerUpdated links in user guide commit | commitdiff | tree | snapshot
2018-08-14 Roland SchulzFix int/bool bugs commit | commitdiff | tree | snapshot
2018-08-14 Joe JordanAdd chainsep and merge tests for pdb2gmx commit | commitdiff | tree | snapshot
2018-08-14 Mark AbrahamFix enforced rotation energy output commit | commitdiff | tree | snapshot
2018-08-14 Erik LindahlFix SIMD anyTrue bug, and add better unit test commit | commitdiff | tree | snapshot
2018-08-14 Roland SchulzRemove BasicVector.as_vec commit | commitdiff | tree | snapshot
2018-08-13 Roland SchulzRemove code duplication in trajana/modules/trajectory commit | commitdiff | tree | snapshot
2018-08-13 Roland SchulzRemove cppcheck commit | commitdiff | tree | snapshot
2018-08-13 Roland SchulzFix MSD commit | commitdiff | tree | snapshot
2018-08-12 Roland Schulz3/3 of old-style casting commit | commitdiff | tree | snapshot
2018-08-12 Roland SchulzAdd _real user defined literal commit | commitdiff | tree | snapshot
2018-08-11 Roland SchulzEnable clang-tidy for headers commit | commitdiff | tree | snapshot
2018-08-10 Roland SchulzAvoid using global variables in programs commit | commitdiff | tree | snapshot
2018-08-10 Kevin BoydAdded physical validation document to the dev manual. commit | commitdiff | tree | snapshot
2018-08-09 Christian BlauRemove Debug Helpers from Essential Dynamics code. commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauLocal atom sets in rotational pulling. commit | commitdiff | tree | snapshot
2018-08-08 Roland Schulz2/3 of old-style casting commit | commitdiff | tree | snapshot
2018-08-08 M. Eric IrrgangEnable ccache compiler wrapper when available. commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauEssential dynamics functions use const-ref for input... commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauSplit essential dynamics eigenvector reading. commit | commitdiff | tree | snapshot
2018-08-08 Christian BlauMake essential dynamics a C++ type. commit | commitdiff | tree | snapshot
2018-08-08 Roland SchulzFix part of old-style casting commit | commitdiff | tree | snapshot
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types commit | commitdiff | tree | snapshot
2018-08-07 M. Eric IrrgangAdd some developer help to Developer Guide. commit | commitdiff | tree | snapshot
2018-08-07 Paul BauerRemove duplicate entry for Doxygen from dev manual commit | commitdiff | tree | snapshot
2018-08-07 Christian BlauLocal atom sets in compEL / ion swapping code. commit | commitdiff | tree | snapshot
2018-08-07 Roland SchulzFix clang-tidy MPI warnings commit | commitdiff | tree | snapshot
2018-08-06 Roland SchulzChange gmx_bool from int to bool commit | commitdiff | tree | snapshot
2018-08-06 Kevin BoydFix gmx solvate topology updating commit | commitdiff | tree | snapshot
2018-08-06 Roland SchulzDisable FPE for GCC 7.* with optimizations commit | commitdiff | tree | snapshot
2018-08-05 Mark AbrahamReform enforced rotation working data commit | commitdiff | tree | snapshot
2018-08-04 Roland Schulzclang-tidy: modernize make-unique/shared commit | commitdiff | tree | snapshot
2018-08-04 Kevin BoydSupport hwloc 2.x.x commit | commitdiff | tree | snapshot
2018-08-04 Christian BlauSplit essential dynamics reading routine commit | commitdiff | tree | snapshot
2018-08-01 Paul BauerFix -skip option for gmx rms commit | commitdiff | tree | snapshot
2018-08-01 M. Eric IrrgangRemove extraneous gitignore line. commit | commitdiff | tree | snapshot
2018-07-31 Mark AbrahamClean up inputrec structs commit | commitdiff | tree | snapshot
2018-07-31 Kevin BoydReport up to date hwloc version information commit | commitdiff | tree | snapshot
2018-07-30 Szilárd PállMove out OpenCL device utils from vectype ops commit | commitdiff | tree | snapshot
2018-07-30 Joe Jordanremove most debug flags from gmxpreprocess commit | commitdiff | tree | snapshot
2018-07-30 Aleksei IupinovRemove hardcoded warp_size == 32 assumption from PME GPU commit | commitdiff | tree | snapshot
2018-07-30 Mark AbrahamFix CG with multiple domains commit | commitdiff | tree | snapshot
2018-07-30 Roland SchulzDisable FPEs at end of runner commit | commitdiff | tree | snapshot
2018-07-30 Szilárd PállImprove the robustness of the nvcc CMake check commit | commitdiff | tree | snapshot
2018-07-30 Szilárd PállFix nvcc host compiler check triggering commit | commitdiff | tree | snapshot
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