biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git] / api /
2021-11-03 Andrey AlekseenkoFix random typos tree | commitdiff
2021-11-01 Eliane BriandAdd DSSP v4 support to do_dssp tree | commitdiff
2021-10-22 ejjordanImprove doxygen in some nblib listed forces files tree | commitdiff
2021-10-22 ejjordanFix nblib pairlist update function tree | commitdiff
2021-10-21 Joe JordanExpand signatures for nblib listed forces calculator tree | commitdiff
2021-10-21 Joe JordanAdd helper functions for setting up Nbnxm gpu object... tree | commitdiff
2021-10-19 UnknownResolve UBSAN error in NBLIB test tree | commitdiff
2021-10-18 Andrey AlekseenkoMerge release-2021 into master tree | commitdiff
2021-10-11 M. Eric IrrgangNormalize API tests. tree | commitdiff
2021-10-10 M. Eric IrrgangSatisfy nblib dependencies with updated library targets. tree | commitdiff
2021-10-09 M. Eric IrrgangNormalize testutils use in `api/` directory. tree | commitdiff
2021-10-08 Joe JordanAdd nblib tpr reading tree | commitdiff
2021-10-08 M. Eric IrrgangAdd missing `#include`. tree | commitdiff
2021-10-07 Joe JordanIntroduce nblib nonbonded force calculator impl class tree | commitdiff
2021-09-23 ejjordanRemove useless top level nblib force calculator tree | commitdiff
2021-09-22 M. Eric IrrgangUpdate MPI dependence for `gmxapi` target. tree | commitdiff
2021-09-22 ejjordanVarious minor nblib updates tree | commitdiff
2021-09-14 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-09-12 M. Eric IrrgangRemove MPI_LINKER_FLAGS. tree | commitdiff
2021-08-26 Joe JordanAdd several more listed forces interaction types to... tree | commitdiff
2021-08-20 Mark AbrahamAdd tests for gmx chi tree | commitdiff
2021-08-19 Andrey AlekseenkoMerge remote-tracking branch 'origin/release-2021'... tree | commitdiff
2021-08-18 Joe JordanSimplify nblib listed forces type tests tree | commitdiff
2021-08-17 Joe JordanAdd Urey-Bradley listed interaction to nblib tree | commitdiff
2021-08-17 Andrey AlekseenkoRandom cosmetic fixes tree | commitdiff
2021-08-16 Joe JordanUpdates to nblib listed forces kernels tree | commitdiff
2021-08-16 Joe JordanRework nblib kernel checks and setup code tree | commitdiff
2021-08-12 ejjordanNblib doc 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
2021-06-29 Andrey AlekseenkoRevert "Enable back floating-point exceptions for SYCL... tree | commitdiff
2021-06-28 Joe JordanAdd nblib virials function with test tree | commitdiff
2021-06-28 M. Eric IrrgangRestore gmxapi._gmxapi.add_mdmodule() Python functionality. tree | commitdiff
2021-06-24 Mark AbrahamUpdate hipSYCL CI container tree | commitdiff
2021-06-24 ejjordanIntroduce AngleInteractionType tree | commitdiff
2021-06-23 Andrey AlekseenkoEnable back floating-point exceptions for SYCL build tree | commitdiff
2021-06-18 Alexey ShvetsovAllow to build and install nblib and gmxapi without... tree | commitdiff
2021-06-17 Mark AbrahamRework -Weverything tree | commitdiff
2021-06-11 Joe JordanAdd createNbnxmCPU, usage, and test tree | commitdiff
2021-06-09 Joe JordanMove nbnxm setup responsibility to its own files and... tree | commitdiff
2021-06-09 Joe JordanExtend nblib listed pbc holder and template kernels tree | commitdiff
2021-06-07 ejjordanRename some paramters in nblib listed forces tree | commitdiff
2021-06-07 Joe JordanMiscellaneous updates from nblib tree | commitdiff
2021-06-07 Artem ZhmurovFix clang-format tree | commitdiff
2021-06-06 Joe JordanUpdates to nblib test infra and tests tree | commitdiff
2021-06-04 Mark AbrahamConvert atomInfo to int64_t tree | commitdiff
2021-06-03 Mark AbrahamRemove preprocessor usage for atomInfo tree | commitdiff
2021-06-03 Dmitry MorozovAdded QM input file name as command-line parameter... tree | commitdiff
2021-05-24 M. Eric IrrgangLet installed library options default to BUILD_SHARED_LIBS. tree | commitdiff
2021-05-19 Paul BauerAdd nullptr check in ArrayRef from array construction 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
2021-05-05 Joe JordanPass ArrayRefs to dispatchNonbondedKernel tree | commitdiff
2021-04-27 Joe JordanUnify constructor of nbnxn_atomdata_t tree | commitdiff
2021-04-20 Joe JordanUse enum class for gmx_omp_nthreads tree | commitdiff
2021-04-14 Paul BauerModernize wallcycle counting tree | commitdiff
2021-03-30 kanduriTurn t_forcerec.shift_vec into an std::vector of gmx... tree | commitdiff
2021-03-23 Berk HessAdd comparison operator to BasicVector 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
2021-03-15 Paul BauerMove M_PI definition to math/units.h tree | commitdiff
2021-03-10 Joe JordanRemove param fillLocal, which was always false, from... tree | commitdiff
2021-03-09 ejjordanMove radian-angle conversions to math/utility tree | commitdiff
2021-03-09 Joe JordanUse constexpr for physical constants and move them... tree | commitdiff
2021-03-09 Paul BauerFix missing stdint.h tree | commitdiff
2021-03-08 ejjordanRemove includes from math/utilities that are not needed... tree | commitdiff
2021-03-08 Joe JordanCorrect the dependencies of nblib tests tree | commitdiff
2021-03-05 Paul BauerRemove physical constant enums tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-02 Paul BauerModernize atom enums tree | commitdiff
2021-02-22 Paul BauerRefactor md_enums tree | commitdiff
2021-02-19 Joe JordanRename and add doxygen to reaction field params in... tree | commitdiff
2021-02-12 Andrey AlekseenkoAdd gmx::isPowerOfTwo function tree | commitdiff
2021-02-12 Mark AbrahamMerge branch release-2021 into master tree | commitdiff
2021-02-12 Mark AbrahamImprove CUDA codegen flags tree | commitdiff
2021-02-11 M. Eric IrrgangUse GmxManageMPI variables for gmxapi. tree | commitdiff
2021-02-11 Pascal MerzAllow specific diagonostic ignore for GCC only tree | commitdiff
2021-02-08 Andrey AlekseenkoDisable FPE for SYCL builds tree | commitdiff
2021-02-04 Mark AbrahamDefine M_PI when it is not defined tree | commitdiff
2021-02-03 Mark AbrahamRemove support for Intel classic compiler tree | commitdiff
2021-01-29 Roland SchulzUse cxx mpi tree | commitdiff
2021-01-29 Mark AbrahamMerge branch release-2021 tree | commitdiff
2021-01-28 Paul BauerFix NB-LIB copyright tree | commitdiff
2021-01-28 kanduriFix failing listed-forces test tree | commitdiff
2021-01-26 Paul BauerAdd new sample script for listed forces tree | commitdiff
2021-01-26 ejjordanAdd necessary dependence of sample test on check-nblib tree | commitdiff
2021-01-26 Mark AbrahamStop installing NB-LIB argon-forces-integration binary tree | commitdiff
2021-01-25 Mark AbrahamUse ctest better to run NB-LIB sample code as a test tree | commitdiff
2021-01-25 Joe JordanCheck availability of compile flags at cmake time tree | commitdiff
2021-01-25 ejjordanRename DefaultAngle to HarmonicAngleType in nblib liste... tree | commitdiff
2021-01-20 Paul BauerNBLIB: Remove preprocessor macros tree | commitdiff
2021-01-11 Mark AbrahamRemove mdrun-only build configuration 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
2020-12-10 Berk HessA check for perturbed listed pairs beyond rlist tree | commitdiff
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2 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
next
Local GROMACS mirror with custom stuff