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Clean up index handing in make_bondeds_zone
[alexxy/gromacs.git] / src / gromacs / ewald /
2021-11-03 Andrey AlekseenkoAvoid allocating SYCL buffer on each call to PME solve tree | commitdiff
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-11-03 Andrey AlekseenkoSYCL: Use acc.bind(cgh) instead of cgh.require(acc) tree | commitdiff
2021-10-27 Szilárd PállUnify coordinate copy handling across GPU platforms tree | commitdiff
2021-10-22 Mark AbrahamFix cuda clang-tidy issues tree | commitdiff
2021-10-21 Mark AbrahamRefactor PME tests for better usability tree | commitdiff
2021-10-19 Andrey AlekseenkoFix SYCL PME Solve kernel tree | commitdiff
2021-10-19 Mark AbrahamAnother clang-tidy fix for new GPU code tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-18 Mark AbrahamFix clang-tidy error in new GPU code tree | commitdiff
2021-10-18 Andrey AlekseenkoDisable PME Mixed mode with FEP tree | commitdiff
2021-10-14 Alan GrayPipeline GPU PME Spline/Spread with PP Comms tree | commitdiff
2021-10-13 Mark AbrahamImplement PME solve in SYCL tree | commitdiff
2021-10-01 Andrey AlekseenkoSYCL: 3D FFT using oneMKL tree | commitdiff
2021-09-30 Andrey AlekseenkoFix clang format and suppres clang lint warning tree | commitdiff
2021-09-30 Mark AbrahamAdd hipSYCL support to GPU 3DFFT tree | commitdiff
2021-09-29 Alan GrayAvoid MPI sync for PME force sender GPU scheduling... tree | commitdiff
2021-09-25 Berk HessReplace DOMAINDECOMP macro by a renamed function tree | commitdiff
2021-09-25 Andrey AlekseenkoSYCL PME Gather kernel tree | commitdiff
2021-09-24 Artem ZhmurovFix clang-tidy warnings in pme and sim_utils tree | commitdiff
2021-09-21 Andrey AlekseenkoSYCL PME Spread kernel tree | commitdiff
2021-09-16 Andrey AlekseenkoMinor fixes to comments and Doxygen tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-13 Magnus LundborgCalculate FEP (GPU) splines for all atoms. tree | commitdiff
2021-09-09 Andrey AlekseenkoMinor improvements to SYCL utils and related clean-up tree | commitdiff
2021-09-09 Andrey AlekseenkoFix typo in selectSpreadKernelPtr causing wrong kernel... tree | commitdiff
2021-09-09 Andrey AlekseenkoEnable GPU PME unit tests tree | commitdiff
2021-09-08 Gaurav GargRedesign GPU FFT abstraction tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes tree | commitdiff
2021-08-16 Artem ZhmurovAdd common header to GpuEventSynchronizer tree | commitdiff
2021-08-15 Artem ZhmurovDo not allow AtomLocality::All for coordinates and... tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-08-02 Mark AbrahamFix style violations tree | commitdiff
2021-08-01 Alan GrayRemove MPI comm from GPU PME-PP force transfer initiation tree | commitdiff
2021-06-29 Mark AbrahamMove GPU 3D FFT code to fft module tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-26 Mark AbrahamDecouple PME GPU 3DFFT from PME GPU module tree | commitdiff
2021-06-09 Andrey AlekseenkoRemove some unused-but-set variables tree | commitdiff
2021-06-08 Andrey AlekseenkoFix clang-tidy complaints tree | commitdiff
2021-06-07 Alan GrayPush GPU PME-PP force from PME task instead of pull... tree | commitdiff
2021-06-01 Andrey AlekseenkoMark a variable as unused in non-MPI build tree | commitdiff
2021-05-31 ejjordanIncrease const correctness in gmx_pme_send_parameters tree | commitdiff
2021-05-24 Paul BauerApply clang-tidy-11 fixes to CUDA files tree | commitdiff
2021-05-24 Joe JordanRemove dead members from gmx_pme_t tree | commitdiff
2021-05-20 Joe JordanLocalize variables in gmx_pme_do tree | commitdiff
2021-05-20 Artem ZhmurovUse MessageStringCollector class to construct error... tree | commitdiff
2021-05-20 ejjordanRemove inputrec from do_ewald tree | commitdiff
2021-05-20 Joe JordanLocalize variables in ewald_LRcorrection tree | commitdiff
2021-05-19 ejjordanRemove forcerec and inputrec from ewald_LRcorrection tree | commitdiff
2021-05-19 ejjordanRemove forcerec from ewald_charge_correction tree | commitdiff
2021-05-18 Roland SchulzFix build with clang-cuda tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files tree | commitdiff
2021-05-11 Artem ZhmurovFix conditional in assertion tree | commitdiff
2021-05-11 Mark AbrahamApply clang-format-11 tree | commitdiff
2021-05-07 Paul BauerMerge branch release-2021 into merge-2021-into-master tree | commitdiff
2021-05-05 Paul BauerApply misc clang-tidy-11 fixes tree | commitdiff
2021-05-03 Artem ZhmurovFix clang-format tree | commitdiff
2021-05-03 Joe JordanArrayRef in pme tree | commitdiff
2021-04-23 Artem ZhmurovClang-11 fixes for PME and FFT tree | commitdiff
2021-04-22 Paul BauerFixes from clang-tidy-11 for signal handling tree | commitdiff
2021-04-21 Joe JordanRename some enum names in ModuleMultiThread tree | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads tree | commitdiff
2021-04-16 Gaurav GargRemove thread-MPI limitation for GPU direct PME-PP... tree | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting tree | commitdiff
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio... tree | commitdiff
2021-03-22 ejjordanUse ArrayRef in do_ewald tree | commitdiff
2021-03-22 Andrey AlekseenkoFix compiler and linter warnings tree | commitdiff
2021-03-21 Szilárd PállRename sendFToPpCudaDirect tree | commitdiff
2021-03-19 Artem ZhmurovUnify init_gpu function in NBNXM tree | commitdiff
2021-03-19 Andrey AlekseenkoUse DeviceBuffer<RVec> in GPU force reduction and PME... tree | commitdiff
2021-03-19 Joe JordanUse ArrayRef in ewald_LRcorrection tree | commitdiff
2021-03-19 ejjordanUse ArrayRef in gmx_pme_send_parameters tree | commitdiff
2021-03-17 ejjordanUse ArrayRef<const real> in gmx_pme_do tree | commitdiff
2021-03-15 Artem ZhmurovMove pmalloc(..)/pfree(...) to separate source files... tree | commitdiff
2021-03-15 Paul BauerMove M_PI definition to math/units.h tree | commitdiff
2021-03-14 Szilárd PállUse existing PME f ready event in PmeForceSenderGpu tree | commitdiff
2021-03-13 Szilárd PállRename launchReceiveCoordinatesFromPpCudaDirect tree | commitdiff
2021-03-12 Paul BauerModernize PME GPU timing enums tree | commitdiff
2021-03-11 Szilárd PállSimplify gmx_pme_send_force_vir_ener() tree | commitdiff
2021-03-10 Andrey AlekseenkoConvert PmeGpu->kernelParams->atoms.d_forces to RVec tree | commitdiff
2021-03-10 Andrey AlekseenkoRevert "Wrap more device pointers in DeviceBuffer"... tree | commitdiff
2021-03-10 Andrey AlekseenkoWrap more device pointers in DeviceBuffer tree | commitdiff
2021-03-09 Joe JordanUse constexpr for physical constants and move them... tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-02-22 Joe JordanHold unique_ptr to gmx_ewald_tab_t in forcerec tree | commitdiff
2021-02-22 Joe JordanHold unique_ptr for interaction_const in forcerec tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-18 Andrey AlekseenkoSYCL NBNXM offload support tree | commitdiff
2021-02-16 Andrey AlekseenkoAdd support for Clang-CUDA 11.x and a post-merge CI... tree | commitdiff
2021-02-16 Joe JordanUse const ref to inputrec in do_force tree | commitdiff
2021-02-12 Andrey AlekseenkoAdd gmx::isPowerOfTwo function tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-03 Mark AbrahamRemove support for Intel classic compiler tree | commitdiff
2021-01-29 Mark AbrahamRemove PrivateImplPointer in favour of std::unique_ptr tree | commitdiff
2021-01-29 Dmitry MorozovAdded functionality that allows MdModules to disable... tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2020-12-18 Mark AbrahamMerge branch release-2021 tree | commitdiff
2020-12-16 M. Eric IrrgangApply re-formatting to C++ in src/ tree. tree | commitdiff
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