Add fvec doxygen
[alexxy/gromacs.git] / src /
2020-10-30 Szilárd PállAdd fvec doxygen
2020-10-30 Szilárd PállFix AMD OpenCL float3 array optimization bug
2020-10-29 Paul BauerFix CUDA code issues
2020-10-29 Paul BauerDefault initialize pull datastructures
2020-10-28 Andrey AlekseenkoMake dispatchTemplatedFunction compatible with MSVC
2020-10-28 Berk HessCorrect AWH initial histogram size
2020-10-28 Gilles Gouaillardetoptions: add the eftCSV OptionFileType
2020-10-28 Andrey AlekseenkoAdd dispatchTemplatedFunction
2020-10-27 Paul BauerFix remaining clang tidy issues with OpenCL
2020-10-27 Paul BauerMix minor clang-tidy warning in double
2020-10-27 Szilárd PállFix clang-tidy v10 warnigns in OpenCL kernels
2020-10-27 M. Eric IrrgangClarify behavior of LegacyMdrunOptions.
2020-10-27 Artem ZhmurovRemove unused velocity scaling enum value
2020-10-26 Artem ZhmurovClear constraints RMSD values upon domains reset
2020-10-23 Roland SchulzFix warning with OneAPI compiler and AVX512
2020-10-22 Artem ZhmurovIntroduce intermediate variable so that compiler will...
2020-10-22 Artem ZhmurovFix formatting of the authors list
2020-10-22 Szilárd PállAdd missing GPU force reduction cycle counting
2020-10-22 Andrey AlekseenkoTrajectoryElement: initialize and rename logWritingStep_
2020-10-21 Szilárd PállAdd missing cycle counting for GPU halo exchange calls
2020-10-21 Andrey AlekseenkoRevert "densityfit: Fix inconsistent use of iterators"
2020-10-21 Andrey Alekseenkodensityfit: Fix inconsistent use of iterators
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-19 Paul BauerRevert "Add muparser and CMake handling"
2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos
2020-10-19 Erik LindahlNew Twitter-based quote
2020-10-19 Alan GrayHalo exchange unit test for pre-existing CPU codepath
2020-10-16 Magnus LundborgWhen loading AWH user data do not convolve the bias...
2020-10-16 Alan GrayFix for force copy dependency of GPU force reduction
2020-10-16 Mark AbrahamFixes for clang 11
2020-10-14 Mark AbrahamFix compilation with MSVC
2020-10-14 Mark AbrahamFix string interpolation error
2020-10-14 Mark AbrahamFix bonded tests
2020-10-14 Andrey AlekseenkoRevert "CUDA nightly fail: Dirty hack"
2020-10-13 Paul BauerFix missing copyright and release notes
2020-10-13 Joe JordanFix segfault in pull reading
2020-10-13 Christian BlauAdd missing header in shake to fix mac clang compilation
2020-10-12 Artem ZhmurovFix the seeding of PRNG when it is used instead of RG
2020-10-09 Artem ZhmurovCool quote picking can freeze when hardware random...
2020-10-09 Andrey AlekseenkoTry to fix the nightly clang-tidy-9 build
2020-10-09 Berk HessAdd MTS support for pull and AWH
2020-10-09 Christian BlauRemove dysfunctional QMMM interface pt5
2020-10-09 Paul BauerRemove under the hood editing of pdb files
2020-10-09 Magnus LundborgAWH: Remove random term from FEP tests
2020-10-08 Andrey AlekseenkoAdd explicit types to NB kernel type enums
2020-10-08 Andrey AlekseenkoSet CUDA hardware constants for CC 7.5, 8.6
2020-10-08 Andrey AlekseenkoDevice management: Add SYCL GpuEventSynchronizer
2020-10-08 Andrey AlekseenkoActivate SYCL build on CI
2020-10-08 Artem ZhmurovAdd Andrey Alekseenko to the list of authors
2020-10-07 Andrey AlekseenkoAdd GpuRegionTimer for SYCL
2020-10-07 Erik LindahlNew release, new quotes!
2020-10-07 Paul BauerFix excessive hackblock warning output
2020-10-07 Mark AbrahamUpdate to oneAPI beta09
2020-10-07 Andrey AlekseenkoMake LeapFrogGpu less tied to CUDA
2020-10-07 Andrey Alekseenkomdlib/tests/leapfrog: Make GPU tests more platform...
2020-10-07 Paul BauerFix SYCL compilation
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release...
2020-10-06 Artem ZhmurovRemove unused canComputeOnGpu(...) function from device...
2020-10-06 Paul BauerSet proper deviceVendor with SYCL
2020-10-06 Artem ZhmurovSimplify GPU usage decision function signatures
2020-10-06 Andrey AlekseenkoFix logic in init_ewald_coulomb_force_table
2020-10-06 Artem ZhmurovUse new GPU infrastructure in MDLib tests
2020-10-05 Paul BauerAlways set DeviceVendor
2020-10-05 Paul BauerFix debug message location
2020-10-05 Paul BauerAdd muparser and CMake handling
2020-10-05 Paul BauerFix doxygen warnings
2020-10-05 Pascal MerzFix ForceBuffers compiler warning
2020-10-02 Mark AbrahamCleaned up CUDA compilation
2020-10-02 Paul BauerWork-around for RDRAND returning -1 on Ryzen
2020-10-02 Paul BauerRemove anonymous namespace in ARM SVE header
2020-10-02 Joe JordanAdd tests for setStringEntry
2020-10-02 Mark AbrahamUpdate GoogleTest to v1.8.1
2020-10-02 Christian BlauFix FEP lambda interpolation for reruns
2020-10-02 Alan GrayUse workload data structures for GPU halo exchange...
2020-10-02 Gilles Gouaillardetarm_sve: fix decr3Hsimd()
2020-10-01 Gilles Gouaillardethardware: detect ARM SVE architecture at runtime
2020-10-01 Gilles Gouaillardetcmake: use simd support for ARM+SVE
2020-10-01 Gilles Gouaillardetsimd: add support for aarch64+sve (ARM_SVE)
2020-10-01 Gilles Gouaillardetsimd: revamp the (templated) decr3Hsimd() subroutine
2020-10-01 Andrey AlekseenkoRemove ensureReferenceCount from OpenCL's GpuEventSynch...
2020-10-01 Artem ZhmurovAdd missing include into the tests comparison helper
2020-10-01 Paul BauerBreak up MPI tests
2020-10-01 Berk HessMove computeSlowForces into stepWork
2020-10-01 Christian BlauFix the FEP lambda interpolation
2020-10-01 Andrey AlekseenkoDevice management: Add SYCL DeviceBuffer
2020-09-30 Pascal MerzRegression-test-style Google tests for FEP
2020-09-30 Andrey AlekseenkoSquash SYCL DeviceContext and DeviceStream
2020-09-30 Berk HessMove computeSlowForces into stepWork
2020-09-30 Paul BauerUpdate CI on 2020 branch
2020-09-30 Mark AbrahamFix warnings issued by clang with nvcc
2020-09-30 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state
2020-09-30 Pascal MerzFix #3655
2020-09-30 Pascal MerzFix #3694
2020-09-30 Artem ZhmurovRestore destructor for GpuTest and gmx_hw_info_t
2020-09-29 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state
2020-09-29 Paul BauerFix doxygen warnings
2020-09-29 Artem ZhmurovDon't use fah_fsync
2020-09-29 Artem ZhmurovRemove two-stage initialization in DeviceStream
2020-09-29 Alan GrayRedevelopment of GPU Force Reduction/Buffer Ops
2020-09-29 M. Eric IrrgangAllow MPI-enabled clients to provide the library commun...
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