biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Merge release-2019 into master
[alexxy/gromacs.git] / src /
2018-11-16 Roland SchulzMerge release-2019 into master tree | commitdiff
2018-11-14 Mark AbrahamFix OpenCL mdrun from installed path tree | commitdiff
2018-11-14 Alan GrayAdded Alan and Jon to List of Contributers tree | commitdiff
2018-11-14 Mark AbrahamMore warning suppressions for QMMM code tree | commitdiff
2018-11-14 M. Eric IrrgangNote GMXAPI CMake variables and build targets. tree | commitdiff
2018-11-13 Paul BauerAdd cool quote tree | commitdiff
2018-11-12 Joe JordanAdd coolquotes tree | commitdiff
2018-11-11 Kevin BoydAdd testing utility for in-place modification of input... tree | commitdiff
2018-11-11 Viacheslav BolnykhFixing segfault in parallel MiMiC QM/MM runs tree | commitdiff
2018-11-08 Berk HessFix bug with DD for dims without PBC tree | commitdiff
2018-11-07 Mark AbrahamSuppress clang warnings about QMMM code tree | commitdiff
2018-11-07 Szilárd PállEliminate macro that expands to variable in PME GPU tree | commitdiff
2018-11-07 Szilárd PállEnsure minimum exec width of the PME OpenCL kernels tree | commitdiff
2018-11-07 Paul BauerAdd global directory for simulation test inputs tree | commitdiff
2018-11-05 Mark AbrahamMake PME OpenCL enabled only for AMD devices tree | commitdiff
2018-11-05 Mark AbrahamRemove source file with no content tree | commitdiff
2018-11-05 Paul BauerMake QM/MM code always compile tree | commitdiff
2018-11-05 Alexey ShvetsovDisable -Wno-missing-prototypes tree | commitdiff
2018-11-05 Paul BauerFix formatting issue tree | commitdiff
2018-11-02 Mark AbrahamQuiet unused variable warnings tree | commitdiff
2018-11-01 Berk HessFix broken update groups tree | commitdiff
2018-11-01 M. Eric IrrgangFully define symbols in restraintpotential.h tree | commitdiff
2018-11-01 M. Eric IrrgangAdd missing blame for restraint module files. tree | commitdiff
2018-10-31 Berk HessLimit auto assignment of bondeds to GPUs tree | commitdiff
2018-10-31 Berk HessPin important buffers in CUDA bondeds tree | commitdiff
2018-10-31 Jonathan VincentAdd CUDA bonded kernels tree | commitdiff
2018-10-31 Berk HessFix FP exception in energy reduction tree | commitdiff
2018-10-31 Berk HessCorrect VV integrator nstcalcenergy use tree | commitdiff
2018-10-31 Berk HessCorrect grompp nstexpanded/nstcalcenergy check tree | commitdiff
2018-10-30 Mark AbrahamRename to GMX_OPENCL_NB_CLUSTER_SIZE tree | commitdiff
2018-10-29 Kevin BoydAdd constructor for t_corr in gmx_msd tree | commitdiff
2018-10-26 Mark AbrahamMerge "Merge branch release-2018 into release-2019... tree | commitdiff
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019 tree | commitdiff
2018-10-26 Berk HessAdd missing mass term to deltaH tree | commitdiff
2018-10-25 Mark AbrahamIntroduce ArrayRefWithPadding tree | commitdiff
2018-10-24 Paul BauerUpdate QM gaussian interface tree | commitdiff
2018-10-24 Paul BauerFix MPI w/o MPI_IN_PLACE tree | commitdiff
2018-10-23 Berk HessAdd missing constraint term to deltaH tree | commitdiff
2018-10-23 Joe JordanProperly attribute work and use correct dates for binar... tree | commitdiff
2018-10-22 Mark AbrahamFix clang CUDA warnings tree | commitdiff
2018-10-22 Paul BauerGROMACS 2019 first beta release tree | commitdiff
2018-10-21 Berk HessFix mdrun start/end time print tree | commitdiff
2018-10-19 M. Eric IrrgangDocumentation bug in gmxapi/context.h tree | commitdiff
2018-10-18 Paul BauerFix segmentation fault in gmx helix tree | commitdiff
2018-10-18 Berk HessAdd env.var. to disable update groups tree | commitdiff
2018-10-16 Mark AbrahamEliminated t_ifunc from t_interaction_function tree | commitdiff
2018-10-16 Magnus LundborgMove gmx_ffparams_t to forcefieldparameters tree | commitdiff
2018-10-16 Mark AbrahamTask assignment for bonded interactions on CUDA GPUs tree | commitdiff
2018-10-16 Mark AbrahamFix compiler issues tree | commitdiff
2018-10-16 Mark AbrahamRemoved support for NVIDIA CC 2.x devices (codename... tree | commitdiff
2018-10-15 Mark AbrahamImprove robustness of end-to-end testing tree | commitdiff
2018-10-15 Mark AbrahamCreate ExclusionBlocks tree | commitdiff
2018-10-15 Mark AbrahamDe-duplicating mdrun setup tree | commitdiff
2018-10-15 Magnus LundborgEnable output of average pull force and positions. tree | commitdiff
2018-10-15 M. Eric IrrgangPreparation for de-duplicating mdrun setup tree | commitdiff
2018-10-14 M. Eric IrrgangAdd some "to do"s for MDModules and Impl. tree | commitdiff
2018-10-14 Mark AbrahamFix compiler warnings tree | commitdiff
2018-10-14 M. Eric IrrgangResolve some linter warnings. tree | commitdiff
2018-10-14 Szilárd PállFix more clang-6 warnings in CUDA code tree | commitdiff
2018-10-14 M. Eric IrrgangTest signaling facility through session resources. tree | commitdiff
2018-10-14 Szilárd PállModernize OpenCL memory allocation flags tree | commitdiff
2018-10-14 M. Eric IrrgangClean up gmxapi testsupport output. tree | commitdiff
2018-10-14 M. Eric Irrganggmxapi::UsageError tree | commitdiff
2018-10-14 M. Eric IrrgangAllow API access to simulation signals. tree | commitdiff
2018-10-13 Aleksei IupinovAdd and enable PME OpenCL tree | commitdiff
2018-10-13 Mark AbrahamQuiet compiler warnings tree | commitdiff
2018-10-13 Viacheslav BolnykhUpdated name of intemolecular exclusions function tree | commitdiff
2018-10-13 Mark AbrahamDeprecate various functionality in GROMACS 2019 tree | commitdiff
2018-10-12 M. Eric IrrgangAdd gmxapi session resources. tree | commitdiff
2018-10-12 M. Eric IrrgangEnable restraints facilities. tree | commitdiff
2018-10-12 M. Eric IrrgangAdd API for adding MDModules / Restraints. tree | commitdiff
2018-10-12 Berk HessImplement assigning bondeds to the GPU tree | commitdiff
2018-10-12 M. Eric IrrgangInitialize force vector in PotentialPointData constructor. tree | commitdiff
2018-10-12 M. Eric IrrgangAdd restraints framework. tree | commitdiff
2018-10-12 Viacheslav BolnykhImplemented QM/MM workflow inside core GROMACS tree | commitdiff
2018-10-11 David van der SpoelReinstated quasiharmonic entropy calculation in gmx... tree | commitdiff
2018-10-11 M. Eric IrrgangAdd gmxapi::Workflow. tree | commitdiff
2018-10-11 M. Eric IrrgangAdd gmxapi::Session. tree | commitdiff
2018-10-11 Mark AbrahamFix PaddedVector issues tree | commitdiff
2018-10-11 Mark AbrahamOpen mdrun log file only once tree | commitdiff
2018-10-10 Paul BauerInclude doi strings from zenodo during release tree | commitdiff
2018-10-10 Paul BauerWrong name for report-methods tool tree | commitdiff
2018-10-10 M. Eric Irrganggmxapi expects position independent code. tree | commitdiff
2018-10-10 Berk HessMove pull output functions to output.cpp tree | commitdiff
2018-10-10 Szilárd PállSwap custom OpenCL memset kernel for clEnqueueFillBuffer tree | commitdiff
2018-10-10 Berk HessMinor refactoring in bonded threading tree | commitdiff
2018-10-09 Viacheslav BolnykhImplemented changes to preprocessor to work with MiMiC... tree | commitdiff
2018-10-09 Mark AbrahamFix DomdecOptions default tree | commitdiff
2018-10-09 Roland SchulzFix MSAN errors tree | commitdiff
2018-10-09 Berk HessFix compiler warning tree | commitdiff
2018-10-08 Berk HessEnable update groups tree | commitdiff
2018-10-08 Szilárd PállFix clang-6 warnings tree | commitdiff
2018-10-08 Roland SchulzOCL: Add const to function arguments tree | commitdiff
2018-10-08 Roland SchulzAdd OCL kernel target tree | commitdiff
2018-10-08 Mark AbrahamDisable FPE explicitly for TPI force calculation tree | commitdiff
2018-10-08 Szilárd PállReplace some NULL with nullptr in CUDA code tree | commitdiff
2018-10-08 Roland SchulzFix OCL compiler warnings tree | commitdiff
2018-10-08 Roland SchulzRemove majority of OCL command line constants tree | commitdiff
2018-10-08 Mark AbrahamImplement PaddedVector tree | commitdiff
2018-10-08 Paul BauerWorkaround for ICC postsubmit bug tree | commitdiff
next
Local GROMACS mirror with custom stuff