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alexxy/gromacs.git
2018-09-13 Berk HessAdd C++ version of t_ilist commit | commitdiff | tree | snapshot
2018-09-13 Roland SchulzRemove useless comments commit | commitdiff | tree | snapshot
2018-09-13 Mark AbrahamEliminate main.h commit | commitdiff | tree | snapshot
2018-09-12 Roland SchulzWarn for type mismatch for gmx printf like functions 2/3 commit | commitdiff | tree | snapshot
2018-09-12 Roland SchulzAdd SSE2 + double config commit | commitdiff | tree | snapshot
2018-09-12 Berk HessConvert vsite structs to C++ commit | commitdiff | tree | snapshot
2018-09-12 M. Eric IrrgangSimplify add_suffix_to_output_names() commit | commitdiff | tree | snapshot
2018-09-12 Roland SchulzRemove cpluscplus ifdefs commit | commitdiff | tree | snapshot
2018-09-12 Roland SchulzFix clang-tidy warnings for OCL commit | commitdiff | tree | snapshot
2018-09-12 Berk HessConvert DD gmx_reverse_top_t to C++ commit | commitdiff | tree | snapshot
2018-09-11 Roland SchulzFix SSE4.1 after change to C++ commit | commitdiff | tree | snapshot
2018-09-11 Mark AbrahamReplace C-style library file handling with RAII approaches commit | commitdiff | tree | snapshot
2018-09-11 Mark AbrahamImprove DD logging commit | commitdiff | tree | snapshot
2018-09-11 Roland SchulzCompile nonbonded kernels as C++ commit | commitdiff | tree | snapshot
2018-09-11 David van der... Added option to gmx nmeig to print ZPE. commit | commitdiff | tree | snapshot
2018-09-11 Mark AbrahamReplace readConformation with TopologyInformation commit | commitdiff | tree | snapshot
2018-09-11 Pascal MerzAdded trivial const qualifiers commit | commitdiff | tree | snapshot
2018-09-11 Pascal MerzInitialize total_vir and pres in init_md commit | commitdiff | tree | snapshot
2018-09-10 M. Eric IrrgangRemove const from pointers in t_filenm. commit | commitdiff | tree | snapshot
2018-09-10 Roland SchulzReplace rounding using int(x+0.5) with roundToInt commit | commitdiff | tree | snapshot
2018-09-10 Roland SchulzAdd roundToInt commit | commitdiff | tree | snapshot
2018-09-09 Mark AbrahamChange TopologyInformation implementation commit | commitdiff | tree | snapshot
2018-09-09 Paul BauerRemove macro for group type in topology commit | commitdiff | tree | snapshot
2018-09-07 Mark AbrahamFix grompp memory leaks commit | commitdiff | tree | snapshot
2018-09-07 Mark AbrahamMinor fixes to GPU build system commit | commitdiff | tree | snapshot
2018-09-07 Roland Schulzclang-tidy: override commit | commitdiff | tree | snapshot
2018-09-07 Magnus LundborgCheck q perturbation when PME on GPU is tested commit | commitdiff | tree | snapshot
2018-09-07 Mark AbrahamSeparate simulation database used in tests commit | commitdiff | tree | snapshot
2018-09-07 Roland SchulzSimplify Allocator commit | commitdiff | tree | snapshot
2018-09-06 Roland SchulzHostAllocator: Remove unnecessary template commit | commitdiff | tree | snapshot
2018-09-06 Roland SchulzRemove pin/unpin from HostAllocator commit | commitdiff | tree | snapshot
2018-09-06 Roland SchulzChange CanBePinned to PinnedIfSupported commit | commitdiff | tree | snapshot
2018-09-05 Roland SchulzRemove meta information from host allocator policy commit | commitdiff | tree | snapshot
2018-09-05 Paul BauerChanges to documentation build script commit | commitdiff | tree | snapshot
2018-09-05 M. Eric IrrgangAdjust loader path resolution on Mac OS X. commit | commitdiff | tree | snapshot
2018-09-05 Mark AbrahamBe quieter when failing to detect GPUs commit | commitdiff | tree | snapshot
2018-09-05 Paul BauerImprove stability of parallel documentation build commit | commitdiff | tree | snapshot
2018-09-03 Paul BauerFix error in documentation build commit | commitdiff | tree | snapshot
2018-09-03 Paul BauerAllow documentation to build in parallel commit | commitdiff | tree | snapshot
2018-09-03 Roland SchulzReduce duplication in gpu_utils commit | commitdiff | tree | snapshot
2018-09-02 Roland SchulzTurn DlbState into scoped enum commit | commitdiff | tree | snapshot
2018-08-30 Paul BauerMore fixes from clang-tidy-7 commit | commitdiff | tree | snapshot
2018-08-30 Christian BlauConvert essential dynamics C-structs to C++ pt1. commit | commitdiff | tree | snapshot
2018-08-30 Christian BlauStore essential dynamics parameters as vectors instead... commit | commitdiff | tree | snapshot
2018-08-30 Mark AbrahamUpdate testing matrices for coverage and speed commit | commitdiff | tree | snapshot
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
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