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alexxy/gromacs.git
2019-03-06 Berk HessClean up nbnxm bounding box functions commit | commitdiff | tree | snapshot
2019-03-06 Berk HessClean up nbnxm bounding boxes commit | commitdiff | tree | snapshot
2019-03-06 Berk HessConvert nbnxm bounding box to a struct commit | commitdiff | tree | snapshot
2019-03-06 Mark AbrahamRevert "Eliminate mdlib/mdrun.h" commit | commitdiff | tree | snapshot
2019-03-06 Mark AbrahamEliminate mdlib/mdrun.h commit | commitdiff | tree | snapshot
2019-03-06 Mark AbrahamMinor modernization in gmx_dump commit | commitdiff | tree | snapshot
2019-03-05 Mark AbrahamMake pdb2gmx tests run in Jenkins commit | commitdiff | tree | snapshot
2019-03-05 Berk HessFix post-submit warnings commit | commitdiff | tree | snapshot
2019-03-05 Berk HessMove nbnxm atomdata types to atomdata.h commit | commitdiff | tree | snapshot
2019-03-05 Berk HessTurn nbnxn_grid_t into a class commit | commitdiff | tree | snapshot
2019-03-04 Paul BauerMerge "Merge branch release-2019" commit | commitdiff | tree | snapshot
2019-03-02 Szilárd PállEncapsulate force output setup in do_force_* commit | commitdiff | tree | snapshot
2019-03-02 Mark AbrahamMerge branch release-2019 commit | commitdiff | tree | snapshot
2019-03-02 Mark AbrahamRemove defunct mdrun options commit | commitdiff | tree | snapshot
2019-03-01 Jukka MaattaMake OpenCL dummyKernel to require a input parameter commit | commitdiff | tree | snapshot
2019-03-01 Szilárd PállClarify force buffer setup code in do_force commit | commitdiff | tree | snapshot
2019-03-01 Roland SchulzImprove documentation links commit | commitdiff | tree | snapshot
2019-02-28 Berk HessUse unique_ptr in nonbonded_verlet_t commit | commitdiff | tree | snapshot
2019-02-27 Berk HessUse new/delete for t_forcerec commit | commitdiff | tree | snapshot
2019-02-27 Paul BauerRefactor t_params to InteractionTypeParameters commit | commitdiff | tree | snapshot
2019-02-27 Jukka MaattaMake OpenCL dummyKernel to require a input parameter commit | commitdiff | tree | snapshot
2019-02-27 Berk HessClean up dispersioncorrection.cpp commit | commitdiff | tree | snapshot
2019-02-27 Mark AbrahamKeep niche CMake variables as advanced commit | commitdiff | tree | snapshot
2019-02-27 Berk HessFix 4 compilers warnings commit | commitdiff | tree | snapshot
2019-02-27 Mark AbrahamRemove minor broken functionality in gmx bar commit | commitdiff | tree | snapshot
2019-02-27 Berk HessCollect dispersion correction code commit | commitdiff | tree | snapshot
2019-02-26 Mark AbrahamAdd new line to trjconv notice to users commit | commitdiff | tree | snapshot
2019-02-26 Berk HessCorrect grompp index file error message commit | commitdiff | tree | snapshot
2019-02-26 Berk HessClean up mtop pbc functions commit | commitdiff | tree | snapshot
2019-02-26 Prashanth KanduriMoving finish_run(...) to runner.cpp commit | commitdiff | tree | snapshot
2019-02-25 Prashanth KanduriMoving do_pbc_mtop(...) functions to pbcutils from... commit | commitdiff | tree | snapshot
2019-02-25 Paul BauerRefactor ExclusionBlocks commit | commitdiff | tree | snapshot
2019-02-25 Mark AbrahamMove code out of sim_util.cpp commit | commitdiff | tree | snapshot
2019-02-25 Mark AbrahamDe-duplicate gmx_tmpnam and gmx_fopen_temporary commit | commitdiff | tree | snapshot
2019-02-23 Berk HessMove all nbnxm pruning details into module commit | commitdiff | tree | snapshot
2019-02-23 Berk HessHide internals of nbnxm parlist commit | commitdiff | tree | snapshot
2019-02-22 Paul BauerAdd tests for ExclusionBlocks commit | commitdiff | tree | snapshot
2019-02-22 Berk HessFormalize dynamic pruning with GPU emulation commit | commitdiff | tree | snapshot
2019-02-21 Berk HessMove free-energy kernel dispatch into nbnxm module commit | commitdiff | tree | snapshot
2019-02-21 Paul BauerReorganize release notes commit | commitdiff | tree | snapshot
2019-02-21 Berk HessMinor nbnxm cleanup commit | commitdiff | tree | snapshot
2019-02-21 Paul BauerRefactor t_molinfo to MoleculeInformation class commit | commitdiff | tree | snapshot
2019-02-21 Berk HessClean up nbnxm enums commit | commitdiff | tree | snapshot
2019-02-21 Artem ZhmurovTest for LINCS and SHAKE constraints. commit | commitdiff | tree | snapshot
2019-02-21 Berk HessSimplify make_pairlist() call signature commit | commitdiff | tree | snapshot
2019-02-20 Berk HessAdd havePPDomainDecomposition() commit | commitdiff | tree | snapshot
2019-02-20 Paul BauerMerge "Merge branch 'release-2019' into master" commit | commitdiff | tree | snapshot
2019-02-20 Berk HessRefactor DLB region handling commit | commitdiff | tree | snapshot
2019-02-20 Paul BauerMerge branch 'release-2019' into master commit | commitdiff | tree | snapshot
2019-02-20 Paul BauerFix release notes formatting commit | commitdiff | tree | snapshot
2019-02-19 Paul BauerPrepare for 2019.2 commit | commitdiff | tree | snapshot
2019-02-19 Artem ZhmurovPBC setup for GPU is moved into pbcutils. commit | commitdiff | tree | snapshot
2019-02-19 Roland SchulzAdd GMX_OCL_SHOW_DIAGNOSTICS env option commit | commitdiff | tree | snapshot
2019-02-19 Roland SchulzImprove libstd++ handling commit | commitdiff | tree | snapshot
2019-02-18 David van der... Precision fix for rescbt code. commit | commitdiff | tree | snapshot
2019-02-17 Szilárd PállImprove GPU target compatibility error message commit | commitdiff | tree | snapshot
2019-02-17 Berk HessUse enum class for nbnxm locality commit | commitdiff | tree | snapshot
2019-02-17 Berk HessExtract nbnxm grid.h and pairlistwork.h commit | commitdiff | tree | snapshot
2019-02-17 Berk HessFix compiler warnings commit | commitdiff | tree | snapshot
2019-02-17 Berk HessMove nbnxm details from sim_util.cpp to module commit | commitdiff | tree | snapshot
2019-02-16 Berk HessMove nbnxn files to nbnxm directory commit | commitdiff | tree | snapshot
2019-02-16 David van der... Tests of restrained listed potentials. commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerFix memory leaks in editconf commit | commitdiff | tree | snapshot
2019-02-15 Szilárd PállExtend GpuEventSynchronizer to allow on-device sync commit | commitdiff | tree | snapshot
2019-02-15 Semen YesylevskyyFixed misleading wording for membed option. commit | commitdiff | tree | snapshot
2019-02-15 Semen YesylevskyyAdd new suggested external trajectory analysis tool commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerFix memory issues in preprocess commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerRefactor vsite topology commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerVersion 2019.1 commit | commitdiff | tree | snapshot
2019-02-15 Mark AbrahamImproved diagnostics when PME cannot run on GPUs commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerFix tune_pme commit | commitdiff | tree | snapshot
2019-02-15 Berk HessFix mass Delta H double counting commit | commitdiff | tree | snapshot
2019-02-15 Szilárd PállExtend performance considerations on bonded offload commit | commitdiff | tree | snapshot
2019-02-14 Mark AbrahamFix use of selections referring to index groups commit | commitdiff | tree | snapshot
2019-02-14 Mark AbrahamRevert changes to implementation of insert-molecules... commit | commitdiff | tree | snapshot
2019-02-13 Mark AbrahamImproved electric-field docs commit | commitdiff | tree | snapshot
2019-02-13 Szilárd PállDisable instruction fusion on Power8 commit | commitdiff | tree | snapshot
2019-02-13 Szilárd PállMinor refactoring in mdrunnner commit | commitdiff | tree | snapshot
2019-02-13 Paul BauerRefactor rtp renaming commit | commitdiff | tree | snapshot
2019-02-13 Mark AbrahamMake EnergyOutput wrapper class commit | commitdiff | tree | snapshot
2019-02-13 Artem ZhmurovIgnore Visual Studio Code metadata. commit | commitdiff | tree | snapshot
2019-02-13 Mark AbrahamReduce coupling to paddedvector.h commit | commitdiff | tree | snapshot
2019-02-13 Paul BauerMove simulated tempering default setting commit | commitdiff | tree | snapshot
2019-02-12 Szilárd PállMinor refactor of gpuid / task mapping parsing commit | commitdiff | tree | snapshot
2019-02-12 Mark AbrahamQuiet clang warning commit | commitdiff | tree | snapshot
2019-02-12 Paul BauerRefactor special bonds commit | commitdiff | tree | snapshot
2019-02-12 Paul BauerRefactor t_rbonded and t_rbondeds commit | commitdiff | tree | snapshot
2019-02-12 Paul BauerRefactor t_restp commit | commitdiff | tree | snapshot
2019-02-12 Christian Blau3x3 matrices commit | commitdiff | tree | snapshot
2019-02-12 Mark AbrahamRemove gmx::Regex commit | commitdiff | tree | snapshot
2019-02-11 David van der... Remove buggy debug output. commit | commitdiff | tree | snapshot
2019-02-11 David van der... Tests for polarization functions. commit | commitdiff | tree | snapshot
2019-02-11 Christian Blauview on MultiDimArray commit | commitdiff | tree | snapshot
2019-02-11 Paul BauerRefactor t_hack to MoleculePatches commit | commitdiff | tree | snapshot
2019-02-11 Roland SchulzRemove EmptyArrayRef commit | commitdiff | tree | snapshot
2019-02-11 Paul BauerFix bug in residue type reading commit | commitdiff | tree | snapshot
2019-02-09 Kevin BoydUse more vector in selection index groups structs commit | commitdiff | tree | snapshot
2019-02-09 Berk HessDisallow rerun with perturbed masses or constraints commit | commitdiff | tree | snapshot
2019-02-09 Paul BauerChange nightly matrix label to not use hwloc commit | commitdiff | tree | snapshot
2019-02-08 David van der... Further increase of tolerance for angles. commit | commitdiff | tree | snapshot
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