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alexxy/gromacs.git
2019-03-28 Berk HessExtract nbnxm PairlistSets commit | commitdiff | tree | snapshot
2019-03-28 Mark AbrahamMove DomdecOptions into its own header commit | commitdiff | tree | snapshot
2019-03-28 Artem ZhmurovGPU naming conventions commit | commitdiff | tree | snapshot
2019-03-27 Berk HessFix nbnxm OpenCL with cluster size 4 commit | commitdiff | tree | snapshot
2019-03-27 Prashanth KanduriMoving put_atoms_in_box_omp() to pbc.h commit | commitdiff | tree | snapshot
2019-03-27 Prashanth KanduriGetting rid of use_GPU(nbv) function commit | commitdiff | tree | snapshot
2019-03-27 Prashanth KanduriMove stat function declarations to a new stat.h commit | commitdiff | tree | snapshot
2019-03-26 Szilárd PállSkip PBC calculation when there are no listed forces commit | commitdiff | tree | snapshot
2019-03-26 Szilárd Pálldo_force_cutsVERLET cleanup commit | commitdiff | tree | snapshot
2019-03-25 Berk HessConvert nbnxn_pairlist_set_t to class PairlistSet commit | commitdiff | tree | snapshot
2019-03-25 Artem ZhmurovRemove unused headers commit | commitdiff | tree | snapshot
2019-03-25 Mark AbrahamSupport ArrayRef of EnumerationArray commit | commitdiff | tree | snapshot
2019-03-25 M. Eric IrrgangRemove uses of std::iterator mix-in. commit | commitdiff | tree | snapshot
2019-03-25 Mark AbrahamConvert gmx dump to module commit | commitdiff | tree | snapshot
2019-03-22 Christian Blaudensityfitting - serializer for mrc header data. commit | commitdiff | tree | snapshot
2019-03-22 Paul BauerAdd simple tests for symbol table commit | commitdiff | tree | snapshot
2019-03-21 Szilárd PállReorder PBC setup in do_force_lowlevel commit | commitdiff | tree | snapshot
2019-03-20 Berk HessMove around PairSearch code commit | commitdiff | tree | snapshot
2019-03-20 Mark AbrahamClean up mdrun help description commit | commitdiff | tree | snapshot
2019-03-20 Mark AbrahamImprove mimic module commit | commitdiff | tree | snapshot
2019-03-20 Paul BauerAdd simple test to preprocess bond atom type commit | commitdiff | tree | snapshot
2019-03-20 Paul BauerAdd test for string comparison commit | commitdiff | tree | snapshot
2019-03-19 Mark AbrahamAdd support for serializing 32-bit integers commit | commitdiff | tree | snapshot
2019-03-19 Christian Blaudensityfitting - density file format (mrc) header. commit | commitdiff | tree | snapshot
2019-03-19 Paul BauerFix case insensitive string comparison commit | commitdiff | tree | snapshot
2019-03-19 Mark AbrahamFix clang warning commit | commitdiff | tree | snapshot
2019-03-19 Berk HessReduce dependencies of nbnxn_atomdata_t commit | commitdiff | tree | snapshot
2019-03-19 Mark AbrahamUpdate ElectricField module commit | commitdiff | tree | snapshot
2019-03-19 Prashanth KanduriMove initialize_lambdas(...) to state commit | commitdiff | tree | snapshot
2019-03-18 Paul BauerSimple tests for C-style string comparison commit | commitdiff | tree | snapshot
2019-03-18 Prashanth KanduriMoving do_constraints_first(...) to constr.h commit | commitdiff | tree | snapshot
2019-03-15 Berk HessChange nbnxn_search to class PairSearch commit | commitdiff | tree | snapshot
2019-03-15 Berk HessExtract DomainSetup from nbnxn_search commit | commitdiff | tree | snapshot
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
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