biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2019-08-01 Berk HessFix nbnxm GPU memory reservation issue commit | commitdiff | tree | snapshot
2019-08-01 Mark AbrahamManage compiler flags and some include options per... commit | commitdiff | tree | snapshot
2019-08-01 Mark AbrahamImprove use of object libraries in libgromacs commit | commitdiff | tree | snapshot
2019-08-01 Mark AbrahamMerge "Merge release-2019 into master" commit | commitdiff | tree | snapshot
2019-08-01 Paul BauerMerge release-2019 into master commit | commitdiff | tree | snapshot
2019-07-31 Berk HessRemove unused CGLO_INITIALIZATION commit | commitdiff | tree | snapshot
2019-07-31 Berk HessRemove vcm removal from compute_globals() commit | commitdiff | tree | snapshot
2019-07-31 Artem ZhmurovChange the file structure in constraints tests commit | commitdiff | tree | snapshot
2019-07-31 Berk HessAdd grompp warning with use of GROMOS FF commit | commitdiff | tree | snapshot
2019-07-31 Artem ZhmurovIntroduce function that checks if the computations... commit | commitdiff | tree | snapshot
2019-07-31 Szilárd PállStore wcycle pointer in nonbonded_verlet_t commit | commitdiff | tree | snapshot
2019-07-31 Szilárd PállFixes for F buffer ops change commit | commitdiff | tree | snapshot
2019-07-31 Berk HessRemove need for GROMOS FF in test commit | commitdiff | tree | snapshot
2019-07-31 Pascal MerzRename Simulator to LegacySimulator commit | commitdiff | tree | snapshot
2019-07-31 Szilárd PállMove cycle counting into the GPU bonded module commit | commitdiff | tree | snapshot
2019-07-31 Szilárd PállReport when development feature flags are used commit | commitdiff | tree | snapshot
2019-07-31 Szilárd PállMove end of step GPU task launches to a function commit | commitdiff | tree | snapshot
2019-07-30 Berk HessUse invsqrt and cbrt in free energy kernel commit | commitdiff | tree | snapshot
2019-07-30 Paul BauerAdd wrapper for outputadapter methods commit | commitdiff | tree | snapshot
2019-07-29 Berk HessRemove LJ Ewald correction tables commit | commitdiff | tree | snapshot
2019-07-29 Berk HessAdd initialization to t_nrnb commit | commitdiff | tree | snapshot
2019-07-29 Berk HessFix segmentation fault with cosine pulling commit | commitdiff | tree | snapshot
2019-07-28 Berk HessRemoved generalized reaction-field commit | commitdiff | tree | snapshot
2019-07-28 Berk HessConvert Ewald correction tables to C++ commit | commitdiff | tree | snapshot
2019-07-26 Berk HessAdd default initialization to interaction_const_t commit | commitdiff | tree | snapshot
2019-07-26 Christian BlauFix failing check-source target on python3.6 commit | commitdiff | tree | snapshot
2019-07-26 Berk HessRemove sh_invrc6 from interaction_const_t commit | commitdiff | tree | snapshot
2019-07-26 Artem ZhmurovRemove PImpl scaffolding from CUDA version of SETTLE commit | commitdiff | tree | snapshot
2019-07-25 Berk HessSplit canDetectGpus() commit | commitdiff | tree | snapshot
2019-07-25 Szilárd PállOnly stop the CUDA profiler if there are devices commit | commitdiff | tree | snapshot
2019-07-25 Kevin BoydAdd transpose operation to Matrix3x3 commit | commitdiff | tree | snapshot
2019-07-24 Paul BauerFix doxygen in coordianteio files commit | commitdiff | tree | snapshot
2019-07-24 Paul BauerAdd outputadapters (3/3) commit | commitdiff | tree | snapshot
2019-07-24 Christian BlauFix HTML source documenation error caused by GaussTrans... commit | commitdiff | tree | snapshot
2019-07-24 M. Eric IrrgangRemove one of the examples from sample_restraint. commit | commitdiff | tree | snapshot
2019-07-24 Mark AbrahamRemove tests of make_unique commit | commitdiff | tree | snapshot
2019-07-24 M. Eric IrrgangBegin new sample_restraint development. commit | commitdiff | tree | snapshot
2019-07-24 M. Eric IrrgangFix gmxapi notebook image and sample_restraint docker... commit | commitdiff | tree | snapshot
2019-07-24 M. Eric IrrgangClarify use of Python venv in gmxapi docker images. commit | commitdiff | tree | snapshot
2019-07-24 M. Eric IrrgangImprove gmxapi docker testing environment. commit | commitdiff | tree | snapshot
2019-07-23 M. Eric IrrgangImprove docs for gmxapi Python environment preparation. commit | commitdiff | tree | snapshot
2019-07-23 Mark AbrahamUpdate developer guide commit | commitdiff | tree | snapshot
2019-07-23 M. Eric IrrgangDon't install sample restraint package by default. commit | commitdiff | tree | snapshot
2019-07-23 Kevin BoydModernize syntax of enable_if and traits to use _t... commit | commitdiff | tree | snapshot
2019-07-22 Szilárd PállConditionally pin GPU-related grid data commit | commitdiff | tree | snapshot
2019-07-19 Alan GrayF buffer operations in CUDA commit | commitdiff | tree | snapshot
2019-07-18 M. Eric IrrgangImprove some documentation formatting and spelling. commit | commitdiff | tree | snapshot
2019-07-18 M. Eric IrrgangRemove extraneous file. commit | commitdiff | tree | snapshot
2019-07-18 Paul BauerExtend MDLogger levels commit | commitdiff | tree | snapshot
2019-07-17 Paul BauerMove methods out from trjconv commit | commitdiff | tree | snapshot
2019-07-16 Mark AbrahamAdd gpubufferops test matrix commit | commitdiff | tree | snapshot
2019-07-11 Szilárd PállUse HostVector for Grid/GridSet data need on-GPU commit | commitdiff | tree | snapshot
2019-07-11 Mark AbrahamFix pre-submit build matrix and description commit | commitdiff | tree | snapshot
2019-07-11 Kevin BoydUse const views in matrix determinant calculation commit | commitdiff | tree | snapshot
2019-07-11 Kevin BoydAdd trace functionality to 3x3 matrices commit | commitdiff | tree | snapshot
2019-07-11 Pascal MerzGet rid of clang-tidy warning in do_md/rerun/mimic commit | commitdiff | tree | snapshot
2019-07-11 Pascal MerzRemove dependence of compute_globals on t_state commit | commitdiff | tree | snapshot
2019-07-11 Pascal MerzMake relax_shell_flexcon independent of t_state commit | commitdiff | tree | snapshot
2019-07-11 Kevin BoydClean up gmx solvate commit | commitdiff | tree | snapshot
2019-07-10 Kevin BoydAdd implicit conversion of mdspan-containing types... commit | commitdiff | tree | snapshot
2019-07-10 M. Eric Irrganggmxapi Python package documentation layout. commit | commitdiff | tree | snapshot
2019-07-09 Pascal MerzAdded trivial const qualifier to relax_shell_flexcon() commit | commitdiff | tree | snapshot
2019-07-09 Pascal MerzConst qualifier for forces in update_coords commit | commitdiff | tree | snapshot
2019-07-09 David van der... Fixed small bug in gmx anaeig commit | commitdiff | tree | snapshot
2019-07-09 M. Eric IrrgangIncorporate sample_restraint repository. commit | commitdiff | tree | snapshot
2019-07-09 M. Eric IrrgangBegin CMake front-end for Python packaging machinery. commit | commitdiff | tree | snapshot
2019-07-09 Paul BauerFix link to acpype repository commit | commitdiff | tree | snapshot
2019-07-09 Paul BauerFix postsubmit commit | commitdiff | tree | snapshot
2019-07-08 Szilárd PállEliminate a use of double precision in the GPU bonded... commit | commitdiff | tree | snapshot
2019-07-08 Berk HessStore nbnxm gridSet data in GridSetData commit | commitdiff | tree | snapshot
2019-07-08 Paul BauerFix issues found by clang-tidy 7 commit | commitdiff | tree | snapshot
2019-07-08 Mark AbrahamFix hwloc and sphinx detection commit | commitdiff | tree | snapshot
2019-07-08 Mark AbrahamTest specific hwloc versions commit | commitdiff | tree | snapshot
2019-07-05 Kevin BoydChange error message when attempting to offload to... commit | commitdiff | tree | snapshot
2019-07-05 Berk HessChange affinity enum to enum class commit | commitdiff | tree | snapshot
2019-07-05 Artem ZhmurovRemove PImpl scaffolding from CUDA version of LINCS commit | commitdiff | tree | snapshot
2019-07-05 Mark AbrahamImprove tests of index block construction commit | commitdiff | tree | snapshot
2019-07-05 Mark AbrahamModernize FindHwloc.cmake commit | commitdiff | tree | snapshot
2019-07-05 M. Eric IrrgangPython bindings for mdrun. commit | commitdiff | tree | snapshot
2019-07-04 Mark AbrahamFurther clang-tidy-7 fix commit | commitdiff | tree | snapshot
2019-07-04 Szilárd PállBump latest CUDA + gcc in the pre-submit matrix commit | commitdiff | tree | snapshot
2019-07-04 Szilárd PállFix a -Wformat-truncation warning in tng commit | commitdiff | tree | snapshot
2019-07-04 Artem ZhmurovUse reallocateDeviceBuffer(...) in CUDA version of... commit | commitdiff | tree | snapshot
2019-07-04 Mark AbrahamFix clang-tidy-7 issues commit | commitdiff | tree | snapshot
2019-07-03 Magnus LundborgVectorize GPU bonded data. commit | commitdiff | tree | snapshot
2019-07-03 Artem ZhmurovEarly exit for CUDA versions of SETTLE and LINCS commit | commitdiff | tree | snapshot
2019-07-03 Artem ZhmurovMemory management fixes in CUDA version of LINCS commit | commitdiff | tree | snapshot
2019-07-03 Mark AbrahamReorder options commit | commitdiff | tree | snapshot
2019-07-03 Artem ZhmurovCombine CUDA Leap-Frog, LINCS and SETTLE. II. commit | commitdiff | tree | snapshot
2019-07-03 Kevin BoydUpdates to math/vec.h commit | commitdiff | tree | snapshot
2019-07-03 Kevin BoydMove more tools out of gmxana commit | commitdiff | tree | snapshot
2019-07-02 Mark AbrahamClarify wording of release notes commit | commitdiff | tree | snapshot
2019-07-02 M. Eric IrrgangPython detection consolidation. commit | commitdiff | tree | snapshot
2019-07-02 M. Eric IrrgangRearrange some definitions. commit | commitdiff | tree | snapshot
2019-07-02 Berk HessRefactor thread affinity checking commit | commitdiff | tree | snapshot
2019-07-02 Berk HessRe-enable affinity diagonostics with MPI commit | commitdiff | tree | snapshot
2019-07-02 Kevin BoydAdd mdspan basic elementwise math commit | commitdiff | tree | snapshot
2019-07-02 M. Eric IrrgangUpdate gmxapi test fixtures. commit | commitdiff | tree | snapshot
2019-07-02 Paul BauerFix bug in gmx xpm2ps commit | commitdiff | tree | snapshot
2019-07-02 Kevin BoydAdd function for calculating 3x3 matrix determinant commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff