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Fix clFFT build without GMX_LOAD_PLUGINS
[alexxy/gromacs.git] / src /
2020-06-24 Roland SchulzFix clFFT build without GMX_LOAD_PLUGINS tree | commitdiff
2020-06-23 Pascal MerzRefactor simulator comparison tests tree | commitdiff
2020-06-23 Mark AbrahamWIP: Finish removing compile_cpp_as_cuda tree | commitdiff
2020-06-23 Joe JordanRemove some headers from install targets tree | commitdiff
2020-06-23 Berk HessAdd virtual site with one constructing atom tree | commitdiff
2020-06-22 Artem ZhmurovRemove DeviceStream include from GPU traits 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
2020-06-19 M. Eric IrrgangRemove workaround for gcc bug 58265. tree | commitdiff
2020-06-18 Pascal MerzModular simulator: Separate trajectory element and... tree | commitdiff
2020-06-18 Paul BauerFix missing #include <string> tree | commitdiff
2020-06-18 Christoph Junghanscmake: export gmx target tree | commitdiff
2020-06-18 Berk HessConvert t_forcetable to C++ tree | commitdiff
2020-06-17 Pascal MerzFix style errors in modular simulator propagator tree | commitdiff
2020-06-15 Erik LindahlReplace trivalue options with plain booleans tree | commitdiff
2020-06-12 Artem ZhmurovReplace compile_cpp_as_cuda(...) with CUDA runtime... tree | commitdiff
2020-06-09 Artem ZhmurovMake SD stuff private for update.cpp tree | commitdiff
2020-06-09 Paul BauerExtract COM handling from trjconv tree | commitdiff
2020-06-09 Artem ZhmurovMake SD stuff private for update.cpp tree | commitdiff
2020-06-08 Artem ZhmurovMove constraints related logic to constraints file tree | commitdiff
2020-06-08 Kevin BoydReplace nbnxn_buffer_flags_t with vector tree | commitdiff
2020-06-08 Artem ZhmurovUnify VdW and Electrostatic kernel enumerations in... tree | commitdiff
2020-06-05 Artem ZhmurovMove calculation of kinetic energy to md_support tree | commitdiff
2020-06-05 Berk HessRemove COM from SETTLE tree | commitdiff
2020-06-05 Paul BauerUse moltype directly for obtaining residueAtomRanges tree | commitdiff
2020-06-05 Paul BauerFix failing webpage build tree | commitdiff
2020-06-04 Artem ZhmurovMake a error message less confusing tree | commitdiff
2020-06-04 Artem ZhmurovCool quote tree | commitdiff
2020-06-03 Berk HessFix missing PBC in SHAKE tree | commitdiff
2020-06-03 Erik LindahlRemove 'register' storage class in clFFT tree | commitdiff
2020-06-03 Berk HessTurn SettleData into a class tree | commitdiff
2020-06-03 Gilles Gouaillardetnonbonded-benchmark: run combrule=none when the -all... tree | commitdiff
2020-06-02 Paul BauerAdd function to get residue start and end tree | commitdiff
2020-05-29 Mark AbrahamMake Cygwin build work tree | commitdiff
2020-05-29 Paul BauerAdd test for InteractionList tree | commitdiff
2020-05-29 Artem ZhmurovUnify initialization of GPU and CPU SETTLE tree | commitdiff
2020-05-26 Artem ZhmurovRemove the dependence on Constraints object on t_mdatoms tree | commitdiff
2020-05-25 Erik LindahlFix warnings on llvm 11 compilers tree | commitdiff
2020-05-25 Artem ZhmurovRemove dependence on t_mdatoms from GPU version of... tree | commitdiff
2020-05-25 Paul BauerFix clang-tidy warnings tree | commitdiff
2020-05-24 Paul BauerAdd conversion from new to legacy symtab tree | commitdiff
2020-05-24 Kevin BoydClean up grompp memory leaks in rotation and pull struc... tree | commitdiff
2020-05-23 Paul BauerModernize convert-tpr tree | commitdiff
2020-05-23 Artem ZhmurovRemove dependence on t_mdatoms from pull code tree | commitdiff
2020-05-23 Paul BauerAdd tests for tool help output writing tree | commitdiff
2020-05-22 Artem ZhmurovRemove dependence of constraints on t_mdatoms tree | commitdiff
2020-05-22 Artem ZhmurovRemove dependence of constraints on t_mdatoms tree | commitdiff
2020-05-20 Paul BauerFix compile errors tree | commitdiff
2020-05-20 Berk HessRemove t_mdatoms from Nbnxm setAtomProperties() tree | commitdiff
2020-05-19 Berk HessRefactor print_missing_interactions() tree | commitdiff
2020-05-19 Paul BauerRemove unnecessary includes of arrayref.h tree | commitdiff
2020-05-15 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation tree | commitdiff
2020-05-14 Berk HessExtract postProcessForceWithShiftForces() tree | commitdiff
2020-05-13 Paul BauerFix check source error parsing tree | commitdiff
2020-05-12 Berk HessExtract helper force buffers to a separate class tree | commitdiff
2020-05-12 Berk HessRefactor virtual site interface tree | commitdiff
2020-05-12 Paul BauerFix archive build tree | commitdiff
2020-05-11 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation tree | commitdiff
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master tree | commitdiff
2020-05-05 Paul BauerFix copyright tree | commitdiff
2020-05-05 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation tree | commitdiff
2020-05-04 Paul BauerFix cmake error: Mixed styles of target_link_libraries... tree | commitdiff
2020-05-04 Artem ZhmurovUnify CUDA and OpenCL lookup-table creation tree | commitdiff
2020-05-04 Pascal MerzCatch errors in v-rescale and Parrinello-Rahman checkpo... tree | commitdiff
2020-04-30 Gilles Gouaillardetcmake: declare (and hence initialize) GMX_USE_SIMD_KERN... tree | commitdiff
2020-04-30 Mark AbrahamFix compiler flag reporting tree | commitdiff
2020-04-30 M. Eric IrrgangUpdate header sorting. tree | commitdiff
2020-04-30 M. Eric IrrgangRequire C++17 standard and STL features. tree | commitdiff
2020-04-30 ejjordanAdd EOF newlines to eliminate compiler warnings tree | commitdiff
2020-04-29 Artem ZhmurovFix the number of steps check when checkpoint is loaded tree | commitdiff
2020-04-29 M. Eric IrrgangApply more granular CTest time-out policy. tree | commitdiff
2020-04-29 Mark AbrahamBaseline commit tree | commitdiff
2020-04-29 Mark AbrahamFixed several clang-tidy issues tree | commitdiff
2020-04-28 ejjordanAddress review comments tree | commitdiff
2020-04-28 ejjordanSimplify calc_listed signature tree | commitdiff
2020-04-28 ejjordanFix issues with check-source tree | commitdiff
2020-04-28 Roland SchulzAdd clang WA tree | commitdiff
2020-04-28 Roland SchulzFix MSVC 2019 test failures tree | commitdiff
2020-04-27 Artem ZhmurovFix the removal of COM velocity in case of GPU update tree | commitdiff
2020-04-27 M. Eric IrrgangResolve static analyzer warnings from google tests. tree | commitdiff
2020-04-27 M. Eric IrrgangAvoid temporary strings. tree | commitdiff
2020-04-27 Artem ZhmurovMove PBC setup out of the launchKernel(...) in GPU... tree | commitdiff
2020-04-27 Paul BauerFix segmentation fault in do_dssp tree | commitdiff
2020-04-27 Mark AbrahamImproved some logic in do_force tree | commitdiff
2020-04-27 Paul BauerFix warning for return type tree | commitdiff
2020-04-25 Mark AbrahamMove configuration of global headers tree | commitdiff
2020-04-25 Paul BauerFix copyright header tree | commitdiff
2020-04-25 Roland SchulzFix MSVC 2019 warnings tree | commitdiff
2020-04-24 Paul BauerFix parallel testing tree | commitdiff
2020-04-23 Pascal MerzMake boxdeformation independent of t_commrec tree | commitdiff
2020-04-23 Paul BauerMake clang-tidy script more robust tree | commitdiff
2020-04-23 Paul BauerFix parallel testing tree | commitdiff
2020-04-23 Mark AbrahamFix warnings for no-mpi build tree | commitdiff
2020-04-22 Pascal MerzMake init_dires independent of t_commrec tree | commitdiff
2020-04-22 Paul BauerCopy of CI from master to 2020 tree | commitdiff
2020-04-21 Mark AbrahamFix warnings with clang 9 tree | commitdiff
2020-04-20 Artem ZhmurovFix the number of steps check when checkpoint is loaded tree | commitdiff
2020-04-20 Paul BauerMake tests check code for warnings same as the main... tree | commitdiff
2020-04-17 Pascal MerzMake global topology const in ISimulator tree | commitdiff
2020-04-17 Christian Blauproposed fix for redmine bug #3403 tree | commitdiff
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