remove legacy CUDA non-bonded kernels
[alexxy/gromacs.git] / src /
2013-12-02 Szilard Pallremove legacy CUDA non-bonded kernels
2013-12-02 Berk HessMade cutoff-scheme=Verlet the default
2013-12-02 Berk HessRenamed verlet-buffer-drift to verlet-buffer-tolerance
2013-12-02 Roland SchulzMerge "Merge branch 'release-4-6'"
2013-12-02 Christian WennbergCalculating LJ-interactions using Particle mesh Ewald
2013-12-02 Mark AbrahamMerge branch 'release-4-6'
2013-12-02 Teemu MurtolaFix [CHEVRON]/[chevron] for HTML output
2013-12-02 Roland SchulzReplace SUM_SIMD with gmx_sum_simd
2013-12-01 Teemu MurtolaRemove GMX_DOUBLE from config.h
2013-12-01 Teemu MurtolaDon't install headers depending on GMX_INTERNAL_XDR
2013-12-01 Mark AbrahamFix scope and naming of some variables
2013-12-01 Mark AbrahamTurn on -Wunused-parameter where applicable
2013-12-01 Berk HessFixed zero hardware thread count
2013-12-01 Teemu MurtolaAdjust more copyright headers
2013-11-30 Alexey ShvetsovFix -Wstrict-overflow in domdec.c
2013-11-30 Mark AbrahamAdd machinery for integration tests
2013-11-29 Berk HessCreated SIMD module
2013-11-29 Teemu MurtolaRemove unused config.h defines
2013-11-29 Teemu MurtolaMake help texts refer to gmx-something
2013-11-28 Teemu MurtolaMove gmx_omp.* into src/gromacs/utility/
2013-11-28 Rossen ApostolovUpdated to gmock-1.7.0
2013-11-28 Teemu MurtolaGenerate gromacs.7 from the wrapper binary
2013-11-28 Teemu MurtolaFix some #include problems.
2013-11-28 Teemu MurtolaUniform headers in HTML pages
2013-11-27 Teemu MurtolaRemove unused gmx_membed.c
2013-11-26 Berk HessFixed return value of gmx_mtop_bondeds_free_energy
2013-11-26 Teemu MurtolaRemove #ifdef GMX_THREAD_MPI for basic thread safety.
2013-11-26 Mark AbrahamMoved gromos87 writing code into fileio module
2013-11-20 Teemu MurtolaUpdate copyright headers in kernels.
2013-11-20 Teemu MurtolaUpdate copyright headers in generated kernels.
2013-11-20 Teemu MurtolaScript to automatically update copyright
2013-11-19 Teemu MurtolaAdd some missing copyright headers.
2013-11-19 Szilárd PállFix DD load balancing bug with GPU sharing
2013-11-19 Teemu MurtolaAdd back mechanism for cross-tool hyperlinks.
2013-11-18 Mark AbrahamBump CMake requirement to 2.8.8
2013-11-17 Teemu MurtolaReformat existing LGPL copyright notices.
2013-11-17 Teemu MurtolaMove binary directory search to ProgramInfo.
2013-11-17 Teemu MurtolaAllow copying of HelpWriterContext.
2013-11-16 Teemu MurtolaAdd listing of programs by topic to HTML output.
2013-11-16 Teemu MurtolaSome module dependency cleanup.
2013-11-16 Teemu MurtolaReorganize help writing code.
2013-11-16 Teemu MurtolaMake gmx-gangle more flexible with multiple angles
2013-11-16 Teemu MurtolaTurn on most -Wunused warnings for C++ code.
2013-11-15 Teemu MurtolaConsistently handle NULL at argv[argc].
2013-11-15 Erik LindahlMerge "Merge branch release-4-6"
2013-11-15 Teemu MurtolaSimplify GMX_X11 handling.
2013-11-15 Mark AbrahamMerge branch release-4-6
2013-11-15 Berk Hesscorrected potential nbnxn SIMD memory issue
2013-11-13 Szilard PallClarified GPU selection output and mdrun help
2013-11-08 Berk Hessfix nbnxn atom sorting with distant bondeds
2013-11-07 Berk Hesscorrected dynamic load balancing when sharing GPUs
2013-11-06 Szilard Pallenable GPU sharing among tMPI ranks
2013-11-05 Berk HessGPU detection is done once per physical node
2013-11-05 Berk Hessremoved (harmless) left-over in nbnxn SIMD kernels
2013-11-01 Mark AbrahamAdded gmx_omp_nthreads_set for use in testing
2013-10-31 Berk Hessreorganized GPU detection and selection
2013-10-31 Mark AbrahamRename GMX_IS_* to GMX_TARGET_*
2013-10-31 Teemu MurtolaMove more timing routines into timing/.
2013-10-30 Mark AbrahamSilence warnings about scanner.cpp
2013-10-30 Alexey Shvetsovgromacs cpp: clean up -Wunused-parameter warnings
2013-10-30 Alexey Shvetsovnbnxn_kernels: Clean up -Wunused-parameter warnings
2013-10-30 Teemu MurtolaMarkup substitution through HelpWriterContext.
2013-10-30 Mark AbrahamMerge "Merge release-4-6 into master"
2013-10-30 Roland SchulzFix build with GMX_CYCLE_SUBCOUNTERS
2013-10-30 Roland SchulzMerge release-4-6 into master
2013-10-29 Alexey Shvetsovmdlib: Clean up -Wunused-parameter warnings
2013-10-29 Berk Hesscorrected volume with serial NPT replica exchange
2013-10-29 Mark AbrahamRenamed and removed last references to GMX_CRAY_XT3
2013-10-29 Magnus LundborgFixed memory leak in gmxdump.
2013-10-28 Berk Hessimproved the nbnxn buffer size estimate with GPUs
2013-10-28 Teemu MurtolaOverview Doxygen pages for analysis framework.
2013-10-28 Teemu MurtolaSome overview content for Doxygen documentation.
2013-10-28 Teemu MurtolaMisc. Doxygen updates for src/gromacs/utility/.
2013-10-28 Mark AbrahamCreate fileio module
2013-10-28 Teemu MurtolaSimplify code structure for C++ analysis tools
2013-10-26 Roland SchulzFix NBNxN SIMD reference kernels
2013-10-26 Mark AbrahamEncapsulate gmx_wallclock_accounting_t into new timing...
2013-10-26 Mark AbrahamCleaned up run time measurement
2013-10-26 Mark AbrahamAdded documentation for gmx_runtime_t struct
2013-10-23 Mark AbrahamMerge branch release-4-6 into master
2013-10-22 Berk Hessfixed recent bug with CUDA texture objects
2013-10-22 Berk Hessfixed OpenMP threads being pinned to the same cores
2013-10-18 Teemu MurtolaUpgrade layout file to support Doxygen >=1.8.
2013-10-18 Mark AbrahamBlueGene/Q Verlet cut-off scheme kernels
2013-10-17 Mark AbrahamMove mdrun trajectory writing into wrapper function
2013-10-17 Mark AbrahamFix typo in g_membed documentation
2013-10-17 Roland SchulzFix SIMD C reference nbnxn kernels
2013-10-17 Michael ShirtsRestarting from checkpoint no longer reinitializes...
2013-10-16 Teemu MurtolaRemove latex help export.
2013-10-16 Berk Hessavoid division by zero in SIMD angles and dihedrals
2013-10-16 Michael Shirtsturning off expanded ensemble for all integrators but...
2013-10-16 Berk Hessfixed a half bin misalignment in gmx_vanhove -or
2013-10-16 Michael ShirtsFixes a problem with pair type 2 interactions with...
2013-10-15 Szilard Pallmake use of CUDA stream priorities
2013-10-15 Teemu MurtolaFix/improve installation directory logic.
2013-10-14 Szilard Palluse CUDA texture objects when supported
2013-10-11 Berk Hessintroduced general 4-wide SIMD support
2013-10-10 Mark AbrahamIntroduced MPI initialization counter
2013-10-10 Berk Hessfixed nbnxn 4x8 pair search without AVX
2013-10-08 Mark AbrahamRemove some unused variables from MD loop
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