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alexxy/gromacs.git
2019-03-14 Berk HessChange nbnxm macros to constexpr commit | commitdiff | tree | snapshot
2019-03-14 Berk HessMove functions to gridset.cpp commit | commitdiff | tree | snapshot
2019-03-14 Berk HessAdd nbnxm GridSet class commit | commitdiff | tree | snapshot
2019-03-14 Berk HessFix compilation issue commit | commitdiff | tree | snapshot
2019-03-13 Szilárd PállReorganize search-time code in do_force_cutsVERLET commit | commitdiff | tree | snapshot
2019-03-13 Szilárd PállAdd haveGpuBondedWork flag to PpForceWorkload commit | commitdiff | tree | snapshot
2019-03-13 Szilárd PállStart modularizing force workload setup commit | commitdiff | tree | snapshot
2019-03-13 Paul BauerAdd tests for preprocess atom types commit | commitdiff | tree | snapshot
2019-03-13 Paul BauerRemove custom datastructure in vsite preprocessing commit | commitdiff | tree | snapshot
2019-03-13 Paul BauerFix errors caused by automatic rebase commit | commitdiff | tree | snapshot
2019-03-13 Artem ZhmurovBasic routines to handle periodic boundary. commit | commitdiff | tree | snapshot
2019-03-13 Paul BauerRefactor t_param to InteractionType commit | commitdiff | tree | snapshot
2019-03-12 Berk HessMove nbnxm atom macros to atomdata.h commit | commitdiff | tree | snapshot
2019-03-12 Mark AbrahamFix memory leak commit | commitdiff | tree | snapshot
2019-03-08 Paul BauerRefactor preprocessing atom types. commit | commitdiff | tree | snapshot
2019-03-08 Berk HessClean up calc_verlet_buffer_size() commit | commitdiff | tree | snapshot
2019-03-08 Paul BauerMinor refactoring in vsite_parm commit | commitdiff | tree | snapshot
2019-03-07 Mark AbrahamEliminate mdlib/mdrun.h commit | commitdiff | tree | snapshot
2019-03-07 Mark AbrahamRemove ineffective code for writing more TER fields... commit | commitdiff | tree | snapshot
2019-03-07 Mark AbrahamNew tests for pdb2gmx and editconf commit | commitdiff | tree | snapshot
2019-03-06 Mark AbrahamClean up use of loop indices commit | commitdiff | tree | snapshot
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
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