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SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
[alexxy/gromacs.git] / src / gromacs / listed_forces /
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-13 Andrey AlekseenkoFix clang-tidy complaints tree | commitdiff
2021-10-08 Sebastian KehlAdapt testcases for gapsys softcore tree | commitdiff
2021-10-05 Sebastian KehlRename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ. tree | commitdiff
2021-10-05 Sebastian KehlRename sc-scale-X-gapsys to sc-gapsys-scale-X. tree | commitdiff
2021-10-05 Sebastian KehlGuard for epsfac equals zero in sc-gapsys. tree | commitdiff
2021-10-05 Sebastian KehlFix random fpe errors by proper initialization. tree | commitdiff
2021-10-05 Sebastian KehlFix some more double literals. tree | commitdiff
2021-10-05 Sebastian KehlFix port of gapsys-LJ to simd. tree | commitdiff
2021-10-05 Sebastian KehlFix sign in 14-interactions with sc-gapsys. tree | commitdiff
2021-10-05 Sebastian KehlIntroduce explicit parameters for gapsys-sc. tree | commitdiff
2021-10-05 Sebastian KehlRemove SoftcoreType::None. tree | commitdiff
2021-10-05 Sebastian KehlReverse order of conditions. tree | commitdiff
2021-10-05 Sebastian KehlFix use of literals. tree | commitdiff
2021-10-05 Sebastian KehlRemove changes to the test cases. tree | commitdiff
2021-10-05 Sebastian KehlAdd gapsys softcore function. tree | commitdiff
2021-09-30 Berk HessPad RVec force buffer in ThreadForceBuffer tree | commitdiff
2021-09-25 Berk HessReplace DOMAINDECOMP macro by a renamed function tree | commitdiff
2021-09-21 Berk HessPrepare ThreadedForceBuffer for FE kernel use tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-09 Berk HessExtract ThreadForceBuffer from listed forces tree | commitdiff
2021-08-30 Berk HessMake orires work with DD particle reordering tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes tree | commitdiff
2021-08-03 Mark AbrahamUpdate bundled GoogleTest to current HEAD tree | commitdiff
2021-06-29 Paul BauerMerge branch release-2021 into master tree | commitdiff
2021-06-16 Paul BauerRemove workaround for old clang tree | commitdiff
2021-06-10 Paul BauerUpdate parts of the CPU CMAP kernel tree | commitdiff
2021-06-07 Artem ZhmurovRemove duplicating pointers to device buffers in GPU... tree | commitdiff
2021-05-27 Artem ZhmurovRename GpuBonded into ListedForcesGpu tree | commitdiff
2021-05-26 ejjordanRemove foreign energy groups from gmx_enerdata_t tree | commitdiff
2021-05-26 Joe JordanMove t_forcetable and table enums to forcetable header tree | commitdiff
2021-05-24 Paul BauerApply clang-tidy-11 fixes to CUDA files tree | commitdiff
2021-05-20 Artem ZhmurovUse MessageStringCollector class to construct error... tree | commitdiff
2021-05-15 Paul BauerUse InheritParentConfig: true in clang-tidy files 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
2021-05-06 Paul BauerRemove UB in ArrayRef from array tree | commitdiff
2021-05-05 Berk HessConvert t_oriresdata to C++ tree | commitdiff
2021-05-03 ejjordanRemove mdatoms from pairs in listed forces tree | commitdiff
2021-04-22 Joe JordanVectors in history_t tree | commitdiff
2021-04-20 ejjordanclang-tidy-11 fixes for listed_forces tree | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting tree | commitdiff
2021-04-13 Joe JordanUse array for term and foreign_term in gmx_enerdata_t tree | commitdiff
2021-04-13 Kevin BoydAdd basic position restraints test tree | commitdiff
2021-04-12 Joe JordanReplace defines with constexpr in ishift tree | commitdiff
2021-04-02 Paul BauerReplace gmx_mtop_ilistloop_all tree | commitdiff
2021-04-01 Sebastian KehlAdd unit test for 1-4 interactions. tree | commitdiff
2021-03-23 ejjordanForward declare ArrayRef more and inlcude basedefinitio... tree | commitdiff
2021-03-19 Paul BauerBulk change to const ref for mtop tree | commitdiff
2021-03-19 Joe JordanUse more arrayref in listed forces sigatures tree | commitdiff
2021-03-19 Joe JordanMake non bonded energy terms enum class 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
2021-02-24 Paul BauerRework state checkpoint enum handling tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-19 ejjordanPass restraint data structures to bonded functions tree | commitdiff
2021-02-18 Andrey AlekseenkoSYCL NBNXM offload support tree | commitdiff
2021-02-15 Pascal MerzMake the restraint history const during force calculation 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 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-12 Berk HessAvoid NMR restraints calls for MTS levels > 0 tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-01-07 Paul BauerWrite copyright output files as utf8 tree | commitdiff
2020-12-18 Alan GrayStage bonded kernel atomics through shared memory 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
2020-11-24 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-20 M. Eric IrrgangCreate CMake targets for each of the modules. tree | commitdiff
2020-11-10 Szilárd PállGPU codepath cycle counting fixes tree | commitdiff
2020-11-05 Paul BauerMerge branch 'origin/release-2021' into merge-2021... tree | commitdiff
2020-11-05 Berk HessCopy position restraint parameters with MTS tree | commitdiff
2020-10-29 Andrey AlekseenkoNarrow-down Intel-specific #ifdef's tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-19 Andrey AlekseenkoFix random doxygen warnings and typos tree | commitdiff
2020-10-14 Mark AbrahamFix bonded tests tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-09-30 Berk HessMove computeSlowForces into stepWork tree | commitdiff
2020-09-10 Berk HessAdd angles to ListedForces selections tree | commitdiff
2020-09-02 Berk HessMove listed and wall forces out of do_force_lowlevel() tree | commitdiff
2020-09-02 Berk HessEnable splitting of listed interaction calculation tree | commitdiff
2020-09-02 Gilles GouaillardetFix improved SIMD angles() tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-28 Berk HessAdd SIMD version of harmonic bonds tree | commitdiff
2020-08-14 Berk HessAdd SIMD bonded tests and improve SIMD angles() tree | commitdiff
2020-08-04 Erik LindahlSimplified uniform GPU selection in CMake tree | commitdiff
2020-07-31 Berk HessMove foreign potential energy accumulation tree | commitdiff
2020-07-15 Mark AbrahamDivide default communicator from DD communicators tree | commitdiff
2020-07-06 Berk HessMove foreign potential energy accumulation tree | commitdiff
2020-06-24 Berk HessAdd class ListedForces tree | commitdiff
2020-06-22 M. Eric IrrgangReformat pairs.cpp tree | commitdiff
2020-06-22 Berk HessMove soft-core parameters to interaction_const_t tree | commitdiff
2020-06-18 Berk HessConvert t_forcetable to C++ tree | commitdiff
2020-06-05 Artem ZhmurovMake a error message less confusing tree | commitdiff
2020-06-04 Artem ZhmurovMake a error message less confusing tree | commitdiff
2020-05-19 Paul BauerRemove unnecessary includes of arrayref.h tree | commitdiff
2020-05-12 Paul BauerFix archive build tree | commitdiff
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