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Fix clang 10 -Wimplicit-int-float-conversion warnings
[alexxy/gromacs.git] / src /
2020-04-12 Szilárd PállFix clang 10 -Wimplicit-int-float-conversion warnings tree | commitdiff
2020-04-12 Mark AbrahamRemoved unused variable in force table generation tree | commitdiff
2020-04-12 Mark AbrahamFinish removing ENCAD shifts and table generation tree | commitdiff
2020-04-10 Christoph Junghanscmake: fix exported target tree | commitdiff
2020-04-08 Mark AbrahamFixes for clang-tidy-9 tree | commitdiff
2020-04-07 Pascal MerzMerge force and shellFC elements tree | commitdiff
2020-04-07 Mark AbrahamReplace EnumOption with EnumerationArrayOption tree | commitdiff
2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier tree | commitdiff
2020-04-07 Pascal MerzMake global topology constant in energyOutput.printAnne... tree | commitdiff
2020-04-07 Pascal MerzMake global topology const in minimization tree | commitdiff
2020-04-06 Pascal MerzMake global topology constant in mdoutf tree | commitdiff
2020-04-06 Berk HessMove force buffer resizing to mdsetup tree | commitdiff
2020-04-06 Pascal MerzMake bonded interaction checking more robust (modular... tree | commitdiff
2020-04-03 M. Eric IrrgangPrune change-management.rst and update links. tree | commitdiff
2020-03-25 Artem ZhmurovMake use of the DeviceStreamManager tree | commitdiff
2020-03-23 Artem ZhmurovIntroduce DeviceStreamManager tree | commitdiff
2020-03-20 Artem ZhmurovAdd OpenCL error reporting to GPU region timer tree | commitdiff
2020-03-20 Berk HessRename class Grid to BiasGrid in AWH module tree | commitdiff
2020-03-20 Artem ZhmurovSmall fixes to the DeviceStream tree | commitdiff
2020-03-19 Artem ZhmurovStore DeviceInformation inside the DeviceContext class tree | commitdiff
2020-03-19 Berk HessSimplify finish_update() tree | commitdiff
2020-03-19 Berk HessRemove at_start from t_graph tree | commitdiff
2020-03-19 Artem ZhmurovPass DeviceContext instead of GPU runtime data when... tree | commitdiff
2020-03-18 Berk HessRemove use of graph in do_force() tree | commitdiff
2020-03-18 Berk HessUse WholeMoleculeTransform for orires and epsilon-surface tree | commitdiff
2020-03-18 Berk HessAdd WholeMoleculeTransform class tree | commitdiff
2020-03-18 Mark AbrahamFix unused variable in PME OpenCL kernel tree | commitdiff
2020-03-18 Mark AbrahamSimplify PME GPU constants tree | commitdiff
2020-03-17 Berk HessConvert t_graph to C++ tree | commitdiff
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt4 tree | commitdiff
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt3 tree | commitdiff
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt2 tree | commitdiff
2020-03-16 Christian BlauRemove dysfunctional QMMM interface pt1 tree | commitdiff
2020-03-14 Mark AbrahamMove testing code to test directory tree | commitdiff
2020-03-13 Artem ZhmurovCombine initialization routines for GPUs assigned to... tree | commitdiff
2020-03-13 Artem ZhmurovRemove stream from GPU kernel launch config tree | commitdiff
2020-03-13 Mark AbrahamRequire padded atom data for PME GPU tree | commitdiff
2020-03-13 Artem ZhmurovUse DeviceStream init(...) function to create streams tree | commitdiff
2020-03-13 Artem ZhmurovMake DeviceStream into a class tree | commitdiff
2020-03-13 Berk HessAdd tests for Ewald surface terms tree | commitdiff
2020-03-12 Gilles Gouaillardetgrompp: fix the -ref <file> option tree | commitdiff
2020-03-11 Szilárd PállReorganize dipole calculation in do_force tree | commitdiff
2020-03-11 Artem ZhmurovFix the post-submit failures tree | commitdiff
2020-03-11 Artem ZhmurovTake over management of OpenCL context from PME and... tree | commitdiff
2020-03-11 Berk HessAdd tests for graph tree | commitdiff
2020-03-10 Berk HessFix type in range and add tests tree | commitdiff
2020-03-10 Artem ZhmurovUse init(..) function to build DeviceContext tree | commitdiff
2020-03-09 Mark AbrahamConsolidate PME GPU spline infrastructure tree | commitdiff
2020-03-09 Artem ZhmurovMake DeviceContext into a proper class tree | commitdiff
2020-03-09 M. Eric IrrgangConsolidate logic for whether to use ModularSimulator. tree | commitdiff
2020-03-07 Berk HessMake shake work without graph tree | commitdiff
2020-03-06 Mark AbrahamSimplify compiling GPU code for tests tree | commitdiff
2020-03-06 Paul BauerFix Gitlab build issues tree | commitdiff
2020-03-05 Christian BlauAdd function calls to MdModules to sign up for notifica... tree | commitdiff
2020-03-05 Christian BlauSplit off implementation details of MdModuleNotification tree | commitdiff
2020-03-05 Artem ZhmurovFinalize renaming of bEnerVir to computeEnergyAndVirial tree | commitdiff
2020-03-05 Mark AbrahamSimplify PME step workload management tree | commitdiff
2020-03-05 Berk HessAdd InteractionDefinitions tree | commitdiff
2020-03-04 Mark AbrahamImprove TPI handling tree | commitdiff
2020-03-04 Magnus LundborgSeparate AWH parameter reading and checking tree | commitdiff
2020-03-04 Artem ZhmurovDo not count PME only rank when initializing NBNXM tree | commitdiff
2020-03-04 Paul BauerMerge "Merge branch release-2020 into master" tree | commitdiff
2020-03-04 Christian BlauSave excluded non-bonded interactions in .tpr file tree | commitdiff
2020-03-04 Christian BlauAdd classhelper macro to forbid copy, move and any... tree | commitdiff
2020-03-04 Paul BauerMerge branch release-2020 into master tree | commitdiff
2020-03-03 Artem ZhmurovMove the PmePPCommGpu initialization from forcerec... tree | commitdiff
2020-03-03 Alan GrayAllow PME coordinate send before H2D coordinate transfer tree | commitdiff
2020-03-03 Magnus LundborgStore dHdL for all neighbor lambdas tree | commitdiff
2020-03-02 Berk HessFix center of mass motion removal with frozen atoms tree | commitdiff
2020-03-02 Artem ZhmurovUpdate the message on whether update and constraints... tree | commitdiff
2020-03-02 Berk HessFix grompp unbound atom check tree | commitdiff
2020-03-02 Berk HessFix nrdf with partial COMM removal tree | commitdiff
2020-03-02 Berk HessFix too small pairlist buffer on Intel GPUs tree | commitdiff
2020-03-02 Paul BauerRevert "Remove frozen atoms from VCM groups" tree | commitdiff
2020-03-02 Paul BauerRemove frozen atoms from VCM groups tree | commitdiff
2020-03-02 Gilles GouaillardetRemove unused variable from nbnxm headers. tree | commitdiff
2020-02-28 Paul BauerMerge branch release-2019 into release-2020 tree | commitdiff
2020-02-28 Paul BauerDefine all CPU NB kernels tree | commitdiff
2020-02-28 Jonathan VincentMoves call to choose best performaing kernels to pme_gp... tree | commitdiff
2020-02-27 Pascal MerzLoosen gmxapi stopsignaler test tree | commitdiff
2020-02-27 Pascal MerzUse legacy code path for t_graph (modular simulator) tree | commitdiff
2020-02-27 Pascal MerzExtract and expose function to determine whether molecu... tree | commitdiff
2020-02-26 Pascal MerzFix constraint contribution to dhdl (modular simulator) tree | commitdiff
2020-02-26 Szilárd PállAvoid mdrun terminate due to GPU sanity check errors tree | commitdiff
2020-02-26 Pascal MerzFix calculation of reciprocal terms in rerun tree | commitdiff
2020-02-25 Magnus LundborgFix out of sync checkpoint files in simulations sharing... tree | commitdiff
2020-02-25 Artem ZhmurovFix the RVec to float3 conversion test tree | commitdiff
2020-02-25 Szilárd PállImprove GPU update tasks assignment consistency tree | commitdiff
2020-02-25 Paul BauerAvoid integer overflow in dispersion correction tree | commitdiff
2020-02-25 Paul BauerRevert "Expose vsite counting" tree | commitdiff
2020-02-24 Pascal MerzUse ArrayRef in compute_globals tree | commitdiff
2020-02-23 ejjordanUse more forward declarations to removed header depende... tree | commitdiff
2020-02-23 Mark AbrahamRemoved unused PME gather functionality tree | commitdiff
2020-02-22 David van der SpoelFixed bug in gmx disre due to inconsistency in input. tree | commitdiff
2020-02-22 Artem ZhmurovAdd missing header and disable failing test tree | commitdiff
2020-02-21 Pascal MerzUse legacy code path for NMR restraints (modular simulator) tree | commitdiff
2020-02-21 Pascal MerzCorrect for skewed box in non-DD modular simulator tree | commitdiff
2020-02-21 Berk HessAdd fatal error when multisim runs sharing state have... tree | commitdiff
2020-02-21 Artem ZhmurovRefactor and enable RVec to float conversion test tree | commitdiff
2020-02-20 Artem ZhmurovDo not call PME GPU builder in CPU code paths tree | commitdiff
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