biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2021-01-11 Mark AbrahamRemove mdrun-only build configuration commit | commitdiff | tree | snapshot
2021-01-11 Pascal MerzFix copyright year commit | commitdiff | tree | snapshot
2021-01-08 Pascal MerzMake inputrec const everywhere in modular simulator commit | commitdiff | tree | snapshot
2021-01-07 Pascal MerzFix periodic actions test commit | commitdiff | tree | snapshot
2021-01-07 Pascal MerzAdd trivial const qualifiers for inputrec commit | commitdiff | tree | snapshot
2021-01-07 Paul BauerFix nightly webpage upload commit | commitdiff | tree | snapshot
2021-01-07 Pascal MerzSimplify test mdp handling commit | commitdiff | tree | snapshot
2021-01-07 Pascal MerzReduce code duplication between Berendsen and c-rescale... commit | commitdiff | tree | snapshot
2021-01-07 Pascal MerzRespect user input for nstcomm commit | commitdiff | tree | snapshot
2021-01-06 Pascal MerzRemove misleading const qualifier for inputrec in expan... commit | commitdiff | tree | snapshot
2021-01-06 Pascal MerzFix lambda printing const qualifier commit | commitdiff | tree | snapshot
2020-12-18 Mark AbrahamMerge branch release-2021 commit | commitdiff | tree | snapshot
2020-12-17 Mark AbrahamUpdate CI image to OneAPI 2021.1.1, add ICC tests. commit | commitdiff | tree | snapshot
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. commit | commitdiff | tree | snapshot
2020-12-15 Mark AbrahamUpdate deprecation statuses commit | commitdiff | tree | snapshot
2020-12-13 Simon ChristCorrect signs of lj and coulomb forces commit | commitdiff | tree | snapshot
2020-12-11 Andrey AlekseenkoUpdate instructions in containers.rst commit | commitdiff | tree | snapshot
2020-12-11 Pascal MerzRestrict force frame comparison for FEP tests commit | commitdiff | tree | snapshot
2020-12-11 Pascal MerzFix trx frame reading from modular simulator checkpoint... commit | commitdiff | tree | snapshot
2020-12-10 Berk HessA check for perturbed listed pairs beyond rlist commit | commitdiff | tree | snapshot
2020-12-10 Magnus LundborgImproved variable names in FEP nonbonded kernel commit | commitdiff | tree | snapshot
2020-12-09 Andrey AlekseenkoFix defining of EXCLUSION_FORCES in CUDA/OpenCL kernels commit | commitdiff | tree | snapshot
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2 commit | commitdiff | tree | snapshot
2020-12-09 Pascal MerzFix and activate tests for kv-tree checkpoint functions commit | commitdiff | tree | snapshot
2020-12-09 Pascal MerzFix dump of checkpoint files commit | commitdiff | tree | snapshot
2020-12-05 Pascal MerzClarify checkpoint mismatch error, and enable in release commit | commitdiff | tree | snapshot
2020-12-04 M. Eric IrrgangAdd CI jobs for gmxapi 0.3 commit | commitdiff | tree | snapshot
2020-12-04 M. Eric IrrgangUpdate rules for release-2021. commit | commitdiff | tree | snapshot
2020-12-04 M. Eric IrrgangSeparate job script files for gmxapi package versions. commit | commitdiff | tree | snapshot
2020-12-04 Magnus LundborgAdded scalar functions cbrt as well as masked Rcp commit | commitdiff | tree | snapshot
2020-12-04 Mark AbrahamFix mdrun-only build commit | commitdiff | tree | snapshot
2020-12-04 Pascal MerzRelax simulator comparison tests commit | commitdiff | tree | snapshot
2020-12-03 M. Eric IrrgangImprove gmxapi C++ test coverage for failed mdrun. commit | commitdiff | tree | snapshot
2020-12-02 Pascal MerzPrint energy conservation in modular simulator commit | commitdiff | tree | snapshot
2020-12-02 Paul BauerThird GROMACS 2021 beta release commit | commitdiff | tree | snapshot
2020-12-02 M. Eric IrrgangOne argument per line for long function signatures. commit | commitdiff | tree | snapshot
2020-12-02 Pascal MerzFixes post submit broken by 05f02ab82 commit | commitdiff | tree | snapshot
2020-12-02 Pascal MerzSeparate simulator comparison tests commit | commitdiff | tree | snapshot
2020-12-02 Pascal MerzFix error when using simulator test with pre-defined... commit | commitdiff | tree | snapshot
2020-12-02 Pascal MerzModular simulator: Disable invalid code paths commit | commitdiff | tree | snapshot
2020-11-30 Paul BauerAdd tests for newer GCC versions commit | commitdiff | tree | snapshot
2020-11-30 M. Eric IrrgangExplicitly use xunit2 schema for pytest output. commit | commitdiff | tree | snapshot
2020-11-29 M. Eric IrrgangImprove accessibility of pytest documentation. commit | commitdiff | tree | snapshot
2020-11-29 Paul BauerFix build on CentOS 7 commit | commitdiff | tree | snapshot
2020-11-27 M. Eric IrrgangImport setuptools early to suppress distutils warning. commit | commitdiff | tree | snapshot
2020-11-25 Paul BauerFix cyclecounters on x32 commit | commitdiff | tree | snapshot
2020-11-25 Paul BauerFix error with links in docs commit | commitdiff | tree | snapshot
2020-11-25 Gilles GouaillardetFix frexp() for ARM SVE SIMD commit | commitdiff | tree | snapshot
2020-11-24 Mark AbrahamStop GoogleTest requiring ancient CMake minimum versions commit | commitdiff | tree | snapshot
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... commit | commitdiff | tree | snapshot
2020-11-24 Erik LindahlFix frexp() for ARM neon SIMD. commit | commitdiff | tree | snapshot
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... commit | commitdiff | tree | snapshot
2020-11-24 Paul BauerFix gmx h2order -d option commit | commitdiff | tree | snapshot
2020-11-24 Erik LindahlMake sure frexp() returns correct for argument 0.0 commit | commitdiff | tree | snapshot
2020-11-24 Artem ZhmurovImprove handling of CUDA API errors commit | commitdiff | tree | snapshot
2020-11-23 Paul BauerFixes for Intel and container build fixes commit | commitdiff | tree | snapshot
2020-11-23 Magnus LundborgProperly check if there are perturbed constraints or... commit | commitdiff | tree | snapshot
2020-11-23 Artem ZhmurovMake corresponding device active before each TestDevice... commit | commitdiff | tree | snapshot
2020-11-23 M. Eric IrrgangLook for the various possible names of the gromacs... commit | commitdiff | tree | snapshot
2020-11-23 Artem ZhmurovSeparate VV first and second steps from MD loop commit | commitdiff | tree | snapshot
2020-11-23 Artem ZhmurovRemove coolquote that sounds offensive without context commit | commitdiff | tree | snapshot
2020-11-22 Christoph Junghanscmake: add trxio.h to legacy api interface commit | commitdiff | tree | snapshot
2020-11-20 Paul BauerFix missing copyright changes commit | commitdiff | tree | snapshot
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules. commit | commitdiff | tree | snapshot
2020-11-18 M. Eric IrrgangReplace gmxapi `erroroutput` with `stderr` and `stdout` commit | commitdiff | tree | snapshot
2020-11-17 Artem ZhmurovUse lambdas to get the list of PBC names from the map... commit | commitdiff | tree | snapshot
2020-11-17 M. Eric IrrgangSeparate the testutils module. commit | commitdiff | tree | snapshot
2020-11-17 Joe JordanRemove some extraneous compiler flags from nblib commit | commitdiff | tree | snapshot
2020-11-16 M. Eric Irrganggmxapi versioning updates. commit | commitdiff | tree | snapshot
2020-11-13 M. Eric IrrgangBe more explicit about build-tree-only dependencies. commit | commitdiff | tree | snapshot
2020-11-13 Gilles GouaillardetDetect ARM SVE Vector length if possible commit | commitdiff | tree | snapshot
2020-11-13 M. Eric IrrgangProvide a catch-all target for library modules. commit | commitdiff | tree | snapshot
2020-11-12 Paul BauerFix thread mpi linking for mdrun only build commit | commitdiff | tree | snapshot
2020-11-12 M. Eric IrrgangProvide common library headers through new CMake target. commit | commitdiff | tree | snapshot
2020-11-12 Paul BauerRestore correct dynamics linking behaviour commit | commitdiff | tree | snapshot
2020-11-11 Paul BauerFix gmx do_dssp CHARMM support commit | commitdiff | tree | snapshot
2020-11-11 Szilárd PállFix gcc 9 "warning: ‘unused’ attribute ignored" commit | commitdiff | tree | snapshot
2020-11-11 Paul BauerFix segmentation fault in gmx pairdist commit | commitdiff | tree | snapshot
2020-11-11 Andrey AlekseenkoMake eelType and evdwType scoped enums, + cleanup commit | commitdiff | tree | snapshot
2020-11-11 Paul BauerSecond GROMACS 2021 beta release commit | commitdiff | tree | snapshot
2020-11-11 Berk HessUpdate gmx msd documentation commit | commitdiff | tree | snapshot
2020-11-10 Andrey AlekseenkoFix "GMX_CUDA|OCL_NB_EWALD_TWINCUT is disabling twin... commit | commitdiff | tree | snapshot
2020-11-10 Paul BauerDisable failing NB-LIB listed forces tests commit | commitdiff | tree | snapshot
2020-11-10 kanduriNBLIB: Fix build warning from uninitialized array commit | commitdiff | tree | snapshot
2020-11-10 Szilárd PállGPU codepath cycle counting fixes commit | commitdiff | tree | snapshot
2020-11-10 Mark AbrahamAdd move operations to GpuHaloExchange commit | commitdiff | tree | snapshot
2020-11-10 Berk HessFix dHdl and foreign energy clearing at checkpointing commit | commitdiff | tree | snapshot
2020-11-10 Pascal MerzFix MTTK constant energy bugs commit | commitdiff | tree | snapshot
2020-11-09 Andrey AlekseenkoAdd SYCL implementation of LeapFrogGpu commit | commitdiff | tree | snapshot
2020-11-09 Joe JordanAdd backend for nblib listed forces API commit | commitdiff | tree | snapshot
2020-11-09 Paul BauerUse images from GitLab docker repository commit | commitdiff | tree | snapshot
2020-11-09 Andrey AlekseenkoFix intemittent MdrunIOTests segfault commit | commitdiff | tree | snapshot
2020-11-09 Artem ZhmurovRemove source file that is no longer in use commit | commitdiff | tree | snapshot
2020-11-09 Szilárd PállFix cycle counting in StatePropagatorDataGpu commit | commitdiff | tree | snapshot
2020-11-09 Berk HessMove implementation to cpp file commit | commitdiff | tree | snapshot
2020-11-09 Alan GrayUse dynamically allocated unique pointers for GPU halo... commit | commitdiff | tree | snapshot
2020-11-09 M. Eric IrrgangHelp clients find dependencies of imported CMake targets. commit | commitdiff | tree | snapshot
2020-11-06 Andrey AlekseenkoSuggest environment variable to limit visible SYCL... commit | commitdiff | tree | snapshot
2020-11-06 Artem ZhmurovFix doxygen comments formattig in update.h commit | commitdiff | tree | snapshot
2020-11-05 Andrey AlekseenkoSlightly refactor AmdZen1 detection code commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff