"Fossies" - the Fresh Open Source Software Archive  

Source code changes report for "gromacs" between the packages
gromacs-2019.5.tar.gz and gromacs-2020.tar.gz

About: GROMACS performs molecular dynamics, i.e. simulates the Newtonian equations of motion for systems with hundreds to millions of particles (designed for biochemical molecules but used also for e.g. polymers). Release of 2020 series.

Summary:

The "gromacs" source code changed by about 60.0% and now consists of 5561 regular files (-298), 3 symbolic links and 353 directories (+45).

Related Informations:

See docs/gmxapi/changelog.rst (gromacs 2020).

Changes In Files (According File Type):

File TypeTotalAddedRemovedChanged
Header file 1382 286 155 672
C program 324 70 71 19
C++ program 2802 433 1373 693
Patch 2 0 0 0
Fortran program 1 0 0 0
Perl program 5 0 0 0
Python program 115 62 11 13
Shell program 32 16 3 3
Awk program 1 0 0 0
Python compiled program 2 1 1 0
Automake file 7 1 0 0
CMake file 250 35 12 104
Configuration file 1 0 0 1
Initialization file 2 2 0 0
JSON file 5 3 0 0
Lex program 1 0 0 0
Makefile 2 0 0 0
Man page 100 0 100 0
Pkg-config file 1 0 0 0
Symbolic link 3 0 0 0
XML document 1190 438 29 54
Yacc program 1 0 0 0
DOS Batch file 2 0 0 0
Doxygen file 12 1 0 1
DTD file 1 0 0 0
MS office document 15 0 0 0
RST file 195 26 2 47
TeX document 4 0 0 0
XML style sheet 10 1 0 0
YAML file 24 23 1 0
Data file 61 6 5 0
Image file 9 0 0 0
PDF file 75 0 0 1
Vector Image file 110 0 0 2
Directory 377 69 24 0
Change log 3 1 0 0
Information file 7 0 1 0
License 8 2 0 2
Readme file 30 9 1 3
Text file 558 96 46 16
Other 22 1 0 0
Total Files7752158218351631



Header Files (1113 of 1382):

NameStatusDeltaVisual Diff
python_packaging/sample_restraint/src/cpp/ensemblepotential.h added
python_packaging/sample_restraint/src/cpp/sessionresources.h added
python_packaging/sample_restraint/src/pythonmodule/export_plugin.h added
python_packaging/sample_restraint/tests/testingconfiguration.in.h added
python_packaging/src/external/pybind/include/pybind11/attr.h added
python_packaging/src/external/pybind/include/pybind11/buffer_info.h added
python_packaging/src/external/pybind/include/pybind11/cast.h added
python_packaging/src/external/pybind/include/pybind11/chrono.h added
python_packaging/src/external/pybind/include/pybind11/common.h added
python_packaging/src/external/pybind/include/pybind11/complex.h added
python_packaging/src/external/pybind/include/pybind11/detail/class.h added
python_packaging/src/external/pybind/include/pybind11/detail/common.h added
python_packaging/src/external/pybind/include/pybind11/detail/descr.h added
python_packaging/src/external/pybind/include/pybind11/detail/init.h added
python_packaging/src/external/pybind/include/pybind11/detail/internals.h added
python_packaging/src/external/pybind/include/pybind11/detail/typeid.h added
python_packaging/src/external/pybind/include/pybind11/eigen.h added
python_packaging/src/external/pybind/include/pybind11/embed.h added
python_packaging/src/external/pybind/include/pybind11/eval.h added
python_packaging/src/external/pybind/include/pybind11/functional.h added
python_packaging/src/external/pybind/include/pybind11/iostream.h added
python_packaging/src/external/pybind/include/pybind11/numpy.h added
python_packaging/src/external/pybind/include/pybind11/operators.h added
python_packaging/src/external/pybind/include/pybind11/options.h added
python_packaging/src/external/pybind/include/pybind11/pybind11.h added
python_packaging/src/external/pybind/include/pybind11/pytypes.h added
python_packaging/src/external/pybind/include/pybind11/stl.h added
python_packaging/src/external/pybind/include/pybind11/stl_bind.h added
python_packaging/src/gmxapi/module.h added
python_packaging/src/gmxapi/pycontext.h added
python_packaging/src/gmxapi/pysystem.h added
src/api/cpp/context-impl.h renamed 60.8% diff
src/api/cpp/context_impl.h
src/api/cpp/createsession.h changed 19.7% diff
src/api/cpp/include/gmxapi/compat/mdparams.h added
src/api/cpp/include/gmxapi/compat/tpr.h added
src/api/cpp/include/gmxapi/context.h changed 39.2% diff
src/api/cpp/include/gmxapi/exceptions.h changed 29.0% diff
src/api/cpp/include/gmxapi/gmxapi.h changed 20.3% diff
src/api/cpp/include/gmxapi/gmxapicompat.h added
src/api/cpp/include/gmxapi/gromacsfwd.h changed 22.0% diff
src/api/cpp/include/gmxapi/md.h changed 20.7% diff
src/api/cpp/include/gmxapi/md/mdmodule.h changed 35.4% diff
src/api/cpp/include/gmxapi/md/mdsignals.h changed 27.7% diff
src/api/cpp/include/gmxapi/session.h changed 48.8% diff
src/api/cpp/include/gmxapi/session/resources.h changed 5.9% diff
src/api/cpp/include/gmxapi/status.h changed 51.1% diff
src/api/cpp/include/gmxapi/system.h changed 55.8% diff
src/api/cpp/md-impl.h renamed 20.5% diff
src/api/cpp/md_impl.h
src/api/cpp/mdsignals.h changed 51.8% diff
src/api/cpp/session-impl.h renamed 78.6% diff
src/api/cpp/session_impl.h
src/api/cpp/sessionresources.h changed 51.7% diff
src/api/cpp/system-impl.h renamed 38.5% diff
src/api/cpp/system_impl.h
src/api/cpp/tests/testingconfiguration.h changed 46.8% diff
src/api/cpp/workflow-impl.h renamed 34.4% diff
src/api/cpp/workflow_impl.h
src/api/cpp/workflow.h changed 45.3% diff
src/external/fftpack/fftpack.h changed 3.9% diff
src/external/nonstd/optional.hpp added
src/external/thread_mpi/include/thread_mpi/tmpi.h changed 0.3% diff
src/gmxpre.h changed 5.1% diff
src/gromacs/analysisdata/abstractdata.h changed 75.4% diff
src/gromacs/analysisdata/analysisdata.h changed 66.9% diff
src/gromacs/analysisdata/arraydata.h changed 66.9% diff
src/gromacs/analysisdata/dataframe.h changed 76.1% diff
src/gromacs/analysisdata/datamodule.h changed 68.1% diff
src/gromacs/analysisdata/datamodulemanager.h changed 82.1% diff
src/gromacs/analysisdata/dataproxy.h changed 39.7% diff
src/gromacs/analysisdata/datastorage.h changed 79.0% diff
src/gromacs/analysisdata/framelocaldata.h changed 65.2% diff
src/gromacs/analysisdata/modules/average.h changed 48.0% diff
src/gromacs/analysisdata/modules/displacement.h changed 34.8% diff
src/gromacs/analysisdata/modules/frameaverager.h changed 58.5% diff
src/gromacs/analysisdata/modules/histogram.h changed 70.0% diff
src/gromacs/analysisdata/modules/lifetime.h changed 26.7% diff
src/gromacs/analysisdata/modules/plot.h changed 66.9% diff
src/gromacs/analysisdata/paralleloptions.h changed 25.7% diff
src/gromacs/analysisdata/tests/datatest.h changed 71.2% diff
src/gromacs/analysisdata/tests/mock_datamodule.h changed 42.6% diff
src/gromacs/applied-forces/electricfield.h moved 10.5% diff
src/gromacs/applied_forces/electricfield.h
src/gromacs/applied_forces/densityfitting.h added
src/gromacs/applied_forces/densityfittingamplitudelookup.h added
src/gromacs/applied_forces/densityfittingforceprovider.h added
src/gromacs/applied_forces/densityfittingoptions.h added
src/gromacs/applied_forces/densityfittingoutputprovider.h added
src/gromacs/applied_forces/densityfittingparameters.h added
src/gromacs/awh/awh.h changed 64.1% diff
src/gromacs/awh/bias.h changed 65.3% diff
src/gromacs/awh/biasparams.h changed 79.8% diff
src/gromacs/awh/biassharing.h changed 13.8% diff
src/gromacs/awh/biasstate.h changed 88.1% diff
src/gromacs/awh/biaswriter.h changed 57.0% diff
src/gromacs/awh/coordstate.h changed 56.5% diff
src/gromacs/awh/correlationgrid.h changed 62.2% diff
src/gromacs/awh/correlationhistory.h changed 14.3% diff
src/gromacs/awh/correlationtensor.h changed 78.3% diff
src/gromacs/awh/dimparams.h changed 17.5% diff
src/gromacs/awh/grid.h changed 57.2% diff
src/gromacs/awh/histogramsize.h changed 66.9% diff
src/gromacs/awh/pointstate.h changed 88.0% diff
src/gromacs/awh/read-params.h renamed 14.1% diff
src/gromacs/awh/read_params.h
src/gromacs/commandline/cmdlinehelpcontext.h changed 49.0% diff
src/gromacs/commandline/cmdlinehelpmodule.h changed 57.3% diff
src/gromacs/commandline/cmdlinehelpwriter.h changed 50.4% diff
src/gromacs/commandline/cmdlineinit.h changed 9.8% diff
src/gromacs/commandline/cmdlinemodule.h changed 45.6% diff
src/gromacs/commandline/cmdlinemodulemanager-impl.h renamed 63.6% diff
src/gromacs/commandline/cmdlinemodulemanager_impl.h
src/gromacs/commandline/cmdlinemodulemanager.h changed 79.6% diff
src/gromacs/commandline/cmdlineoptionsmodule.h changed 63.8% diff
src/gromacs/commandline/cmdlineparser.h changed 56.3% diff
src/gromacs/commandline/cmdlineprogramcontext.h changed 59.4% diff
src/gromacs/commandline/filenm.h changed 31.6% diff
src/gromacs/commandline/pargs.h changed 20.0% diff
src/gromacs/commandline/shellcompletions.h changed 26.1% diff
src/gromacs/commandline/tests/cmdlinemodulemanagertest.h changed 49.9% diff
src/gromacs/commandline/viewit.h changed 8.7% diff
src/gromacs/compat/make_unique.h removed
src/gromacs/compat/optional.h added
src/gromacs/compat/pointers.h changed 56.2% diff
src/gromacs/compat/string_view.h added
src/gromacs/compat/utility.h changed 9.0% diff
src/gromacs/coordinateio.h added
src/gromacs/coordinateio/coordinatefile.h added
src/gromacs/coordinateio/enums.h added
src/gromacs/coordinateio/ioutputadapter.h added
src/gromacs/coordinateio/outputadaptercontainer.h added
src/gromacs/coordinateio/outputadapters.h added
src/gromacs/coordinateio/outputadapters/outputselector.h added
src/gromacs/coordinateio/outputadapters/setatoms.h added
src/gromacs/coordinateio/outputadapters/setbox.h added
src/gromacs/coordinateio/outputadapters/setforces.h added
src/gromacs/coordinateio/outputadapters/setprecision.h added
src/gromacs/coordinateio/outputadapters/setstarttime.h added
src/gromacs/coordinateio/outputadapters/settimestep.h added
src/gromacs/coordinateio/outputadapters/setvelocities.h added
src/gromacs/coordinateio/requirements.h added
src/gromacs/coordinateio/tests/coordinate_test.h added
src/gromacs/coordinateio/tests/outputadapters.h added
src/gromacs/coordinateio/tests/requirements.h added
src/gromacs/coordinateio/tests/testmodule.h added
src/gromacs/correlationfunctions/autocorr.h changed 23.0% diff
src/gromacs/correlationfunctions/crosscorr.h changed 5.3% diff
src/gromacs/correlationfunctions/expfit.h changed 23.6% diff
src/gromacs/correlationfunctions/gmx_lmcurve.h changed 6.4% diff
src/gromacs/correlationfunctions/integrate.h changed 9.4% diff
src/gromacs/correlationfunctions/manyautocorrelation.h changed 4.6% diff
src/gromacs/correlationfunctions/tests/correlationdataset.h changed 44.2% diff
src/gromacs/domdec/atomdistribution.h changed 24.2% diff
src/gromacs/domdec/box.h changed 28.5% diff
src/gromacs/domdec/builder.h added
src/gromacs/domdec/cellsizes.h changed 26.2% diff
src/gromacs/domdec/collect.h changed 17.8% diff
src/gromacs/domdec/distribute.h changed 21.8% diff
src/gromacs/domdec/dlb.h changed 14.3% diff
src/gromacs/domdec/dlbtiming.h changed 89.9% diff
src/gromacs/domdec/domdec.h changed 59.2% diff
src/gromacs/domdec/domdec_constraints.h changed 24.6% diff
src/gromacs/domdec/domdec_internal.h changed 44.3% diff
src/gromacs/domdec/domdec_network.h changed 59.1% diff
src/gromacs/domdec/domdec_setup.h added
src/gromacs/domdec/domdec_specatomcomm.h changed 31.3% diff
src/gromacs/domdec/domdec_struct.h changed 44.1% diff
src/gromacs/domdec/domdec_vsite.h changed 14.2% diff
src/gromacs/domdec/dump.h changed 20.0% diff
src/gromacs/domdec/ga2la.h changed 59.0% diff
src/gromacs/domdec/gpuhaloexchange.h added
src/gromacs/domdec/hashedmap.h changed 77.0% diff
src/gromacs/domdec/localatomset.h changed 45.8% diff
src/gromacs/domdec/localatomsetdata.h changed 73.4% diff
src/gromacs/domdec/localatomsetmanager.h changed 49.1% diff
src/gromacs/domdec/options.h added
src/gromacs/domdec/partition.h changed 61.2% diff
src/gromacs/domdec/redistribute.h changed 26.5% diff
src/gromacs/domdec/utility.h changed 39.9% diff
src/gromacs/essentialdynamics/edsam.h changed 30.8% diff
src/gromacs/ewald/calculate-spline-moduli.h renamed 14.3% diff
src/gromacs/ewald/calculate_spline_moduli.h
src/gromacs/ewald/ewald-utils.h renamed 31.1% diff
src/gromacs/ewald/ewald_utils.h
src/gromacs/ewald/ewald.h changed 25.3% diff
src/gromacs/ewald/long-range-correction.h renamed 35.5% diff
src/gromacs/ewald/long_range_correction.h
src/gromacs/ewald/pme-gather.h renamed 24.5% diff
src/gromacs/ewald/pme_gather.h
src/gromacs/ewald/pme-gpu-3dfft.h renamed 38.6% diff
src/gromacs/ewald/pme_gpu_3dfft.h
src/gromacs/ewald/pme-gpu-constants.h renamed 12.4% diff
src/gromacs/ewald/pme_gpu_constants.h
src/gromacs/ewald/pme-gpu-internal.h renamed 36.9% diff
src/gromacs/ewald/pme_gpu_internal.h
src/gromacs/ewald/pme-gpu-program-impl.h removed
src/gromacs/ewald/pme-gpu-program.h renamed 15.6% diff
src/gromacs/ewald/pme_gpu_program.h
src/gromacs/ewald/pme-gpu-timings.h renamed 12.1% diff
src/gromacs/ewald/pme_gpu_timings.h
src/gromacs/ewald/pme-gpu-types-host-impl.h removed
src/gromacs/ewald/pme-gpu-types-host.h removed
src/gromacs/ewald/pme-gpu-types.h renamed 14.0% diff
src/gromacs/ewald/pme_gpu_types.h
src/gromacs/ewald/pme-gpu-utils.h renamed 5.5% diff
src/gromacs/ewald/pme_gpu_utils.h
src/gromacs/ewald/pme-grid.h renamed 47.7% diff
src/gromacs/ewald/pme_grid.h
src/gromacs/ewald/pme-internal.h renamed 66.5% diff
src/gromacs/ewald/pme_internal.h
src/gromacs/ewald/pme-load-balancing.h renamed 35.7% diff
src/gromacs/ewald/pme_load_balancing.h
src/gromacs/ewald/pme-pp-communication.h renamed 32.1% diff
src/gromacs/ewald/pme_pp_communication.h
src/gromacs/ewald/pme-redistribute.h renamed 39.3% diff
src/gromacs/ewald/pme_redistribute.h
src/gromacs/ewald/pme-simd.h renamed 9.2% diff
src/gromacs/ewald/pme_simd.h
src/gromacs/ewald/pme-simd4.h renamed 46.0% diff
src/gromacs/ewald/pme_simd4.h
src/gromacs/ewald/pme-solve.h renamed 27.2% diff
src/gromacs/ewald/pme_solve.h
src/gromacs/ewald/pme-spline-work.h removed
src/gromacs/ewald/pme-spread.h renamed 22.5% diff
src/gromacs/ewald/pme_spread.h
src/gromacs/ewald/pme.h changed 65.8% diff
src/gromacs/ewald/pme_coordinate_receiver_gpu.h added
src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.h added
src/gromacs/ewald/pme_force_sender_gpu.h added
src/gromacs/ewald/pme_force_sender_gpu_impl.h added
src/gromacs/ewald/pme_gpu_program_impl.h added
src/gromacs/ewald/pme_gpu_types_host.h added
src/gromacs/ewald/pme_gpu_types_host_impl.h added
src/gromacs/ewald/pme_pp_comm_gpu.h added
src/gromacs/ewald/pme_pp_comm_gpu_impl.h added
src/gromacs/ewald/pme_spline_work.h added
src/gromacs/ewald/tests/pmetestcommon.h changed 48.8% diff
src/gromacs/ewald/tests/testhardwarecontexts.h changed 40.3% diff
src/gromacs/fft/calcgrid.h changed 10.1% diff
src/gromacs/fft/fft.h changed 16.8% diff
src/gromacs/fft/fft5d.h changed 55.4% diff
src/gromacs/fft/parallel_3dfft.h changed 30.9% diff
src/gromacs/fileio/checkpoint.h changed 100.0% diff
src/gromacs/fileio/confio.h changed 41.1% diff
src/gromacs/fileio/enxio.h changed 27.9% diff
src/gromacs/fileio/espio.h changed 35.4% diff
src/gromacs/fileio/filetypes.h changed 23.2% diff
src/gromacs/fileio/g96io.h changed 11.0% diff
src/gromacs/fileio/gmx_internal_xdr.h changed 34.6% diff
src/gromacs/fileio/gmxfio-impl.h renamed 31.7% diff
src/gromacs/fileio/gmxfio_impl.h
src/gromacs/fileio/gmxfio-xdr.h removed
src/gromacs/fileio/gmxfio.h changed 17.3% diff
src/gromacs/fileio/gmxfio_xdr.h added
src/gromacs/fileio/groio.h changed 38.4% diff
src/gromacs/fileio/matio.h changed 74.9% diff
src/gromacs/fileio/md5.h changed 10.3% diff
src/gromacs/fileio/mrcdensitymap.h added
src/gromacs/fileio/mrcdensitymapheader.h added
src/gromacs/fileio/mrcserializer.h added
src/gromacs/fileio/mtxio.h changed 17.3% diff
src/gromacs/fileio/oenv.h changed 32.1% diff
src/gromacs/fileio/pdbio.h changed 46.7% diff
src/gromacs/fileio/readinp.h changed 39.5% diff
src/gromacs/fileio/rgb.h changed 8.2% diff
src/gromacs/fileio/timecontrol.h changed 6.2% diff
src/gromacs/fileio/tngio.h changed 33.2% diff
src/gromacs/fileio/tpxio.h changed 81.1% diff
src/gromacs/fileio/trrio.h changed 51.6% diff
src/gromacs/fileio/trxio.h changed 29.0% diff
src/gromacs/fileio/vmdio.h changed 16.2% diff
src/gromacs/fileio/warninp.h changed 20.5% diff
src/gromacs/fileio/writeps.h changed 55.4% diff
src/gromacs/fileio/xdr_datatype.h changed 5.1% diff
src/gromacs/fileio/xdrf.h changed 31.6% diff
src/gromacs/fileio/xtcio.h changed 23.9% diff
src/gromacs/fileio/xvgr.h changed 53.8% diff
src/gromacs/gmxana/binsearch.h changed 23.4% diff
src/gromacs/gmxana/cmat.h changed 30.5% diff
src/gromacs/gmxana/dens_filter.h changed 18.0% diff
src/gromacs/gmxana/eigio.h changed 32.1% diff
src/gromacs/gmxana/fitahx.h changed 10.6% diff
src/gromacs/gmxana/gmx_ana.h changed 67.2% diff
src/gromacs/gmxana/gstat.h changed 56.3% diff
src/gromacs/gmxana/hxprops.h changed 30.2% diff
src/gromacs/gmxana/interf.h changed 8.1% diff
src/gromacs/gmxana/nrama.h changed 21.1% diff
src/gromacs/gmxana/nsfactor.h changed 54.8% diff
src/gromacs/gmxana/powerspect.h changed 25.0% diff
src/gromacs/gmxana/princ.h changed 18.9% diff
src/gromacs/gmxana/sfactor.h changed 60.8% diff
src/gromacs/gmxana/thermochemistry.h changed 15.9% diff
src/gromacs/gmxlib/chargegroup.h removed
src/gromacs/gmxlib/conformation-utilities.h renamed 10.7% diff
src/gromacs/gmxlib/conformation_utilities.h
src/gromacs/gmxlib/network.h changed 41.3% diff
src/gromacs/gmxlib/nonbonded/nb_free_energy.h changed 23.8% diff
src/gromacs/gmxlib/nonbonded/nb_generic.h removed
src/gromacs/gmxlib/nonbonded/nb_generic_cg.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel.h changed 71.6% diff
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/kernelutil_x86_avx_128_fma_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_avx_128_fma_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/kernelutil_x86_avx_128_fma_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/kernelutil_x86_avx_256_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/kernelutil_x86_avx_256_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_avx_256_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsall.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_c.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/kernelutil_x86_sse2_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_sse2_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_sse2_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/kernelutil_x86_sse4_1_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_sse4_1_double.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_sse4_1_single.h removed
src/gromacs/gmxlib/nonbonded/nonbonded.h changed 43.7% diff
src/gromacs/gmxlib/nrnb.h changed 51.5% diff
src/gromacs/gmxpreprocess/add_par.h changed 37.3% diff
src/gromacs/gmxpreprocess/calch.h changed 5.2% diff
src/gromacs/gmxpreprocess/convparm.h changed 36.9% diff
src/gromacs/gmxpreprocess/editconf.h added
src/gromacs/gmxpreprocess/fflibutil.h changed 18.0% diff
src/gromacs/gmxpreprocess/gen_ad.h changed 26.6% diff
src/gromacs/gmxpreprocess/gen_maxwell_velocities.h changed 9.2% diff
src/gromacs/gmxpreprocess/gen_vsite.h changed 42.9% diff
src/gromacs/gmxpreprocess/genconf.h changed 6.4% diff
src/gromacs/gmxpreprocess/genhydro.h changed 64.5% diff
src/gromacs/gmxpreprocess/genion.h added
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src/gromacs/utility/errorformat.h changed 13.0% diff
src/gromacs/utility/exceptions.h changed 46.3% diff
src/gromacs/utility/fatalerror.h changed 18.8% diff
src/gromacs/utility/fileptr.h changed 7.9% diff
src/gromacs/utility/fileredirector.h changed 27.0% diff
src/gromacs/utility/filestream.h changed 53.0% diff
src/gromacs/utility/fixedcapacityvector.h added
src/gromacs/utility/flags.h changed 46.0% diff
src/gromacs/utility/futil.h changed 16.8% diff
src/gromacs/utility/gmxassert.h changed 30.6% diff
src/gromacs/utility/gmxmpi.h changed 26.9% diff
src/gromacs/utility/gmxomp.h changed 21.6% diff
src/gromacs/utility/gmxregex.h removed
src/gromacs/utility/ikeyvaluetreeerror.h changed 11.9% diff
src/gromacs/utility/init.h changed 3.0% diff
src/gromacs/utility/inmemoryserializer.h changed 78.6% diff
src/gromacs/utility/int64_to_int.h changed 5.1% diff
src/gromacs/utility/iserializer.h changed 100.0% diff
src/gromacs/utility/keyvaluetree.h changed 54.6% diff
src/gromacs/utility/keyvaluetreebuilder.h changed 69.3% diff
src/gromacs/utility/keyvaluetreeserializer.h changed 9.2% diff
src/gromacs/utility/keyvaluetreetransform.h changed 70.9% diff
src/gromacs/utility/logger.h changed 49.5% diff
src/gromacs/utility/loggerbuilder.h changed 35.7% diff
src/gromacs/utility/mdmodulenotification.h added
src/gromacs/utility/messagestringcollector.h changed 47.2% diff
src/gromacs/utility/mpiinplacebuffers.h added
src/gromacs/utility/niceheader.h changed 6.7% diff
src/gromacs/utility/nodelete.h changed 5.0% diff
src/gromacs/utility/path.h changed 69.8% diff
src/gromacs/utility/physicalnodecommunicator.h changed 26.4% diff
src/gromacs/utility/pleasecite.h changed 10.6% diff
src/gromacs/utility/programcontext.h changed 32.7% diff
src/gromacs/utility/range.h added
src/gromacs/utility/real.h changed 38.4% diff
src/gromacs/utility/smalloc.h changed 15.9% diff
src/gromacs/utility/snprintf.h changed 5.4% diff
src/gromacs/utility/strconvert.h changed 25.6% diff
src/gromacs/utility/strdb.h changed 7.9% diff
src/gromacs/utility/stringcompare.h changed 28.1% diff
src/gromacs/utility/stringstream.h changed 38.6% diff
src/gromacs/utility/stringutil.h changed 51.1% diff
src/gromacs/utility/sysinfo.h changed 6.3% diff
src/gromacs/utility/tests/alignedallocator-impl.h renamed 11.2% diff
src/gromacs/utility/tests/alignedallocator_impl.h
src/gromacs/utility/tests/bitmask.h changed 6.7% diff
src/gromacs/utility/textreader.h changed 66.8% diff
src/gromacs/utility/textstream.h changed 29.0% diff
src/gromacs/utility/textwriter.h changed 69.0% diff
src/gromacs/utility/txtdump.h changed 29.1% diff
src/gromacs/utility/typetraits.h changed 12.3% diff
src/gromacs/utility/unique_cptr.h changed 16.2% diff
src/gromacs/utility/variant.h removed
src/programs/legacymodules.h changed 6.2% diff
src/programs/mdrun/mdrun_main.h changed 6.2% diff
src/programs/mdrun/nonbonded_bench.h added
src/programs/mdrun/tests/energycomparison.h changed 58.3% diff
src/programs/mdrun/tests/energyreader.h changed 52.3% diff
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src/programs/mdrun/tests/moduletest.h changed 42.3% diff
src/programs/mdrun/tests/multisimtest.h changed 43.0% diff
src/programs/mdrun/tests/simulationdatabase.h moved 24.7% diff
src/testutils/simulationdatabase.h
src/programs/mdrun/tests/simulatorcomparison.h added
src/programs/mdrun/tests/terminationhelper.h changed 28.1% diff
src/programs/mdrun/tests/trajectorycomparison.h changed 45.3% diff
src/programs/mdrun/tests/trajectoryreader.h changed 49.8% diff
src/programs/view/3dview.h changed 10.8% diff
src/programs/view/buttons.h changed 32.0% diff
src/programs/view/dialogs.h changed 52.9% diff
src/programs/view/fgrid.h changed 26.5% diff
src/programs/view/logo.h changed 17.1% diff
src/programs/view/manager.h changed 66.2% diff
src/programs/view/molps.h changed 9.2% diff
src/programs/view/nleg.h changed 20.7% diff
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src/programs/view/popup.h changed 26.2% diff
src/programs/view/pulldown.h changed 24.0% diff
src/programs/view/view.h changed 7.1% diff
src/programs/view/x11.h changed 27.6% diff
src/programs/view/xdlg.h changed 46.7% diff
src/programs/view/xdlghi.h changed 36.4% diff
src/programs/view/xdlgitem.h changed 59.4% diff
src/programs/view/xmb.h changed 32.6% diff
src/programs/view/Xstuff.h changed 81.1% diff
src/programs/view/xutil.h changed 47.7% diff
src/testutils/cmdlinetest.h changed 73.7% diff
src/testutils/conftest.h changed 20.6% diff
src/testutils/filematchers.h changed 26.6% diff
src/testutils/interactivetest.h changed 40.3% diff
src/testutils/loggertest.h changed 28.8% diff
src/testutils/mpi-printer.h renamed 3.0% diff
src/testutils/mpi_printer.h
src/testutils/mpitest.h changed 21.3% diff
src/testutils/refdata-checkers.h renamed 66.8% diff
src/testutils/refdata_checkers.h
src/testutils/refdata-impl.h renamed 68.3% diff
src/testutils/refdata_impl.h
src/testutils/refdata-xml.h renamed 10.6% diff
src/testutils/refdata_xml.h
src/testutils/refdata.h changed 71.8% diff
src/testutils/setenv.h added
src/testutils/stdiohelper.h changed 23.5% diff
src/testutils/stringtest.h changed 44.0% diff
src/testutils/testasserts.h changed 62.4% diff
src/testutils/testexceptions.h changed 21.8% diff
src/testutils/testfilemanager.h changed 64.1% diff
src/testutils/testfileredirector.h changed 35.8% diff
src/testutils/testinit.h changed 9.6% diff
src/testutils/testmatchers.h changed 13.6% diff
src/testutils/testoptions.h changed 28.1% diff
src/testutils/testutils-doc.h renamed 4.5% diff
src/testutils/testutils_doc.h
src/testutils/textblockmatchers.h changed 25.4% diff
src/testutils/tprfilegenerator.h added
src/testutils/xvgtest.h changed 27.2% diff

C Programs (160 of 324):

NameStatusDeltaVisual Diff
cmake/TestCUDAVersion.c removed
cmake/TestFileOffsetBits.c removed
cmake/TestFujitsuSparc64.c removed
cmake/TestMIC.c removed
cmake/TestMPI.c removed
cmake/TestPipes.c removed
cmake/TestSIGUSR1.c removed
cmake/TestVMD.c removed
cmake/TestWindowsFSeek.c removed
cmake/TestX86.c removed
cmake/TestXDR.c removed
docs/doxygen/lib/modularsimulator.md added
src/external/clFFT/src/library/md5sum.c removed
src/external/fftpack/fftpack.c removed
src/external/tng_io/src/lib/tng_io.c changed 0.03% diff
src/external/vmd_molfile/vmddlopen.c removed
src/gromacs/domdec/gpuhaloexchange_impl.cu added
src/gromacs/domdec/gpuhaloexchange_impl.cuh added
src/gromacs/ewald/pme-gather.clh renamed 41.3% diff
src/gromacs/ewald/pme_gather.clh
src/gromacs/ewald/pme-gather.cu renamed 80.1% diff
src/gromacs/ewald/pme_gather.cu
src/gromacs/ewald/pme-gpu-3dfft.cu renamed 34.8% diff
src/gromacs/ewald/pme_gpu_3dfft.cu
src/gromacs/ewald/pme-gpu-program-impl.cu removed
src/gromacs/ewald/pme-gpu-utils.clh renamed 4.5% diff
src/gromacs/ewald/pme_gpu_utils.clh
src/gromacs/ewald/pme-program.cl renamed 9.3% diff
src/gromacs/ewald/pme_program.cl
src/gromacs/ewald/pme-solve.clh renamed 29.1% diff
src/gromacs/ewald/pme_solve.clh
src/gromacs/ewald/pme-solve.cu renamed 35.8% diff
src/gromacs/ewald/pme_solve.cu
src/gromacs/ewald/pme-spread.clh renamed 41.1% diff
src/gromacs/ewald/pme_spread.clh
src/gromacs/ewald/pme-spread.cu renamed 80.7% diff
src/gromacs/ewald/pme_spread.cu
src/gromacs/ewald/pme.cuh changed 6.9% diff
src/gromacs/ewald/pme_calculate_splines.cuh added
src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cu added
src/gromacs/ewald/pme_force_sender_gpu_impl.cu added
src/gromacs/ewald/pme_gpu_program_impl.cu added
src/gromacs/ewald/pme_pp_comm_gpu_impl.cu added
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_template_avx_128_fma_double.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_template_avx_128_fma_single.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/nb_kernel_template_avx_256_single.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_template_c.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/nb_kernel_template_sse2_double.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/nb_kernel_template_sse2_single.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/nb_kernel_template_sse4_1_double.pre removed
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/nb_kernel_template_sse4_1_single.pre removed
src/gromacs/gmxpreprocess/tests/spc-and-methanol.top removed
src/gromacs/gpu_utils/cuda_arch_utils.cuh changed 48.4% diff
src/gromacs/gpu_utils/cuda_kernel_utils.cuh changed 13.3% diff
src/gromacs/gpu_utils/cudautils.cu changed 26.9% diff
src/gromacs/gpu_utils/cudautils.cuh changed 40.3% diff
src/gromacs/gpu_utils/device_utils.clh changed 18.3% diff
src/gromacs/gpu_utils/devicebuffer.cuh changed 29.5% diff
src/gromacs/gpu_utils/gpu_utils.cu changed 38.7% diff
src/gromacs/gpu_utils/gpu_vec.cuh changed 47.2% diff
src/gromacs/gpu_utils/gpueventsynchronizer.cuh changed 38.5% diff
src/gromacs/gpu_utils/gpuregiontimer.cuh changed 47.0% diff
src/gromacs/gpu_utils/gputraits.cuh changed 16.6% diff
src/gromacs/gpu_utils/pinning.cu changed 28.0% diff
src/gromacs/gpu_utils/pmalloc_cuda.cu changed 5.5% diff
src/gromacs/gpu_utils/tests/devicetransfers.cu changed 11.4% diff
src/gromacs/gpu_utils/vectype_ops.clh changed 3.7% diff
src/gromacs/gpu_utils/vectype_ops.cuh changed 23.2% diff
src/gromacs/listed-forces/gpubonded-impl.cu removed
src/gromacs/listed-forces/gpubondedkernels.cu moved 78.2% diff
src/gromacs/listed_forces/gpubondedkernels.cu
src/gromacs/listed_forces/gpubonded_impl.cu added
src/gromacs/mdlib/leapfrog_cuda.cu added
src/gromacs/mdlib/leapfrog_cuda.cuh added
src/gromacs/mdlib/lincs_cuda.cu added
src/gromacs/mdlib/lincs_cuda.cuh added
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_F_noprune.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_F_prune.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_pruneonly.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_pruneonly.cuh removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_utils.cuh removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_VF_noprune.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_VF_prune.cu removed
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernels.cuh removed
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_2xnn_kernel.cpp.pre removed
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_4xn_kernel.cpp.pre removed
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_file_generator/nbnxn_kernel_simd_template.h.pre removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel.clh removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel_pruneonly.clh removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernel_utils.clh removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernels.cl removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernels.clh removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernels_fastgen.clh removed
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_kernels_fastgen_add_twincut.clh removed
src/gromacs/mdlib/settle_cuda.cu added
src/gromacs/mdlib/settle_cuda.cuh added
src/gromacs/mdlib/tests/constrtestrunners.cu added
src/gromacs/mdlib/tests/leapfrogtestrunners.cu added
src/gromacs/mdlib/tests/settletestrunners.cu added
src/gromacs/mdlib/update_constrain_cuda_impl.cu added
src/gromacs/nbnxm/cuda/nbnxm_buffer_ops_kernels.cuh added
src/gromacs/nbnxm/cuda/nbnxm_cuda.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_data_mgmt.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel.cuh added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_noprune.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_F_prune.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_pruneonly.cuh added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_utils.cuh added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_noprune.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernel_VF_prune.cu added
src/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh added
src/gromacs/nbnxm/kernel_file_generator/kernel_simd_2xmm_kernel.cpp.pre added
src/gromacs/nbnxm/kernel_file_generator/kernel_simd_4xm_kernel.cpp.pre added
src/gromacs/nbnxm/kernel_file_generator/kernel_simd_template.h.pre added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_pruneonly.clh added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_utils.clh added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.cl added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.clh added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen.clh added
src/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen_add_twincut.clh added
src/gromacs/pbcutil/gpu_pbc.cuh removed
src/gromacs/pbcutil/pbc_aiuc_cuda.cuh added
src/gromacs/utility/cuda_version_information.cu changed 11.4% diff
src/programs/mdrun/tests/ala.top moved 0.0%
src/testutils/simulationdatabase/ala.top
src/programs/mdrun/tests/alanine_vsite.itp moved 0.0%
src/testutils/simulationdatabase/alanine_vsite.itp
src/programs/mdrun/tests/alanine_vsite_solvated.top moved 0.0%
src/testutils/simulationdatabase/alanine_vsite_solvated.top
src/programs/mdrun/tests/alanine_vsite_vacuo.top moved 0.0%
src/testutils/simulationdatabase/alanine_vsite_vacuo.top
src/programs/mdrun/tests/glycine_no_constraints_vacuo.top moved 0.0%
src/testutils/simulationdatabase/glycine_no_constraints_vacuo.top
src/programs/mdrun/tests/glycine_vacuo.top moved 0.0%
src/testutils/simulationdatabase/glycine_vacuo.top
src/programs/mdrun/tests/nonanol_vacuo.top moved 0.0%
src/testutils/simulationdatabase/nonanol_vacuo.top
src/programs/mdrun/tests/OctaneSandwich.top moved 0.0%
src/testutils/simulationdatabase/OctaneSandwich.top
src/programs/mdrun/tests/spc-and-methanol.top removed
src/programs/mdrun/tests/spc2.top moved 0.0%
src/testutils/simulationdatabase/spc2.top
src/programs/mdrun/tests/spc216.top moved 0.0%
src/testutils/simulationdatabase/spc216.top
src/programs/mdrun/tests/spc216_with_methane.top moved 0.0%
src/testutils/simulationdatabase/spc216_with_methane.top
src/programs/mdrun/tests/spc5.top moved 68.6% diff
src/testutils/simulationdatabase/spc5.top
src/testutils/simulationdatabase/angles1.top added
src/testutils/simulationdatabase/one-tip5p.top added
src/testutils/simulationdatabase/spc-dimer.top added
src/testutils/simulationdatabase/sw-dimer.top added
src/testutils/simulationdatabase/tip3p5.top added
src/testutils/simulationdatabase/villin.top added

C++ Programs (2499 of 2802):

NameStatusDeltaVisual Diff
cmake/TestFileOffsetBits.cpp added
cmake/TestFujitsuSparc64.cpp added
cmake/TestMIC.cpp added
cmake/TestMPI.cpp added
cmake/TestPipes.cpp added
cmake/TestSIGUSR1.cpp added
cmake/TestVMD.cpp added
cmake/TestWindowsFSeek.cpp added
cmake/TestX86.cpp added
cmake/TestXDR.cpp added
python_packaging/sample_restraint/src/cpp/ensemblepotential.cpp added
python_packaging/sample_restraint/src/cpp/sessionresources.cpp added
python_packaging/sample_restraint/src/pythonmodule/export_plugin.cpp added
python_packaging/sample_restraint/tests/test_binding.cpp added
python_packaging/sample_restraint/tests/test_bounding_restraint.cpp added
python_packaging/sample_restraint/tests/test_histogram.cpp added
python_packaging/src/gmxapi/export_context.cpp added
python_packaging/src/gmxapi/export_exceptions.cpp added
python_packaging/src/gmxapi/export_system.cpp added
python_packaging/src/gmxapi/export_tprfile.cpp added
python_packaging/src/gmxapi/module.cpp added
python_packaging/src/gmxapi/pycontext.cpp added
python_packaging/src/gmxapi/pysystem.cpp added
share/template/template.cpp changed 2.0% diff
src/api/cpp/context.cpp changed 34.9% diff
src/api/cpp/exceptions.cpp changed 10.8% diff
src/api/cpp/md.cpp changed 26.4% diff
src/api/cpp/mdsignals.cpp changed 36.7% diff
src/api/cpp/session.cpp changed 39.7% diff
src/api/cpp/status.cpp changed 37.6% diff
src/api/cpp/system.cpp changed 15.7% diff
src/api/cpp/tests/restraint.cpp changed 39.0% diff
src/api/cpp/tests/runner.cpp changed 5.9% diff
src/api/cpp/tests/stopsignaler.cpp changed 49.9% diff
src/api/cpp/tests/version.cpp changed 20.8% diff
src/api/cpp/tpr.cpp added
src/api/cpp/version.cpp changed 6.7% diff
src/api/cpp/workflow.cpp changed 20.6% diff
src/api/cpp/workflow/tests/workflow.cpp changed 11.3% diff
src/external/clFFT/src/library/fft_binary_lookup.cpp changed 0.1% diff
src/external/clFFT/src/library/md5sum.cpp added
src/external/fftpack/fftpack.cpp added
src/external/thread_mpi/src/comm.cpp changed 0.8% diff
src/external/vmd_molfile/vmddlopen.cpp added
src/gromacs/analysisdata/abstractdata.cpp changed 40.7% diff
src/gromacs/analysisdata/analysisdata.cpp changed 31.8% diff
src/gromacs/analysisdata/arraydata.cpp changed 32.2% diff
src/gromacs/analysisdata/dataframe.cpp changed 45.4% diff
src/gromacs/analysisdata/datamodule.cpp changed 14.0% diff
src/gromacs/analysisdata/datamodulemanager.cpp changed 41.3% diff
src/gromacs/analysisdata/dataproxy.cpp changed 23.3% diff
src/gromacs/analysisdata/datastorage.cpp changed 58.6% diff
src/gromacs/analysisdata/modules/average.cpp changed 33.9% diff
src/gromacs/analysisdata/modules/displacement.cpp changed 38.0% diff
src/gromacs/analysisdata/modules/frameaverager.cpp changed 12.0% diff
src/gromacs/analysisdata/modules/histogram.cpp changed 45.6% diff
src/gromacs/analysisdata/modules/lifetime.cpp changed 35.6% diff
src/gromacs/analysisdata/modules/plot.cpp changed 45.1% diff
src/gromacs/analysisdata/tests/analysisdata.cpp changed 39.4% diff
src/gromacs/analysisdata/tests/arraydata.cpp changed 19.3% diff
src/gromacs/analysisdata/tests/average.cpp changed 36.9% diff
src/gromacs/analysisdata/tests/datatest.cpp changed 45.4% diff
src/gromacs/analysisdata/tests/histogram.cpp changed 42.1% diff
src/gromacs/analysisdata/tests/lifetime.cpp changed 34.9% diff
src/gromacs/analysisdata/tests/mock_datamodule.cpp changed 59.9% diff
src/gromacs/applied-forces/electricfield.cpp moved 56.6% diff
src/gromacs/applied_forces/electricfield.cpp
src/gromacs/applied-forces/tests/electricfield.cpp moved 43.0% diff
src/gromacs/applied_forces/tests/electricfield.cpp
src/gromacs/applied_forces/densityfitting.cpp added
src/gromacs/applied_forces/densityfittingamplitudelookup.cpp added
src/gromacs/applied_forces/densityfittingforceprovider.cpp added
src/gromacs/applied_forces/densityfittingoptions.cpp added
src/gromacs/applied_forces/densityfittingoutputprovider.cpp added
src/gromacs/applied_forces/densityfittingparameters.cpp added
src/gromacs/applied_forces/tests/densityfitting.cpp added
src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp added
src/gromacs/applied_forces/tests/densityfittingoptions.cpp added
src/gromacs/awh/awh.cpp changed 41.9% diff
src/gromacs/awh/bias.cpp changed 39.8% diff
src/gromacs/awh/biasparams.cpp changed 34.7% diff
src/gromacs/awh/biassharing.cpp changed 28.7% diff
src/gromacs/awh/biasstate.cpp changed 32.6% diff
src/gromacs/awh/biaswriter.cpp changed 29.4% diff
src/gromacs/awh/coordstate.cpp changed 33.0% diff
src/gromacs/awh/correlationgrid.cpp changed 7.5% diff
src/gromacs/awh/correlationhistory.cpp changed 40.3% diff
src/gromacs/awh/correlationtensor.cpp changed 30.5% diff
src/gromacs/awh/grid.cpp changed 24.4% diff
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_
128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_
128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_
128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_
128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_
128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_f
ma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_f
ma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_f
ma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_f
ma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_f
ma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_avx
_128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_avx
_128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_avx
_128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_avx
_128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_avx
_128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_1
28_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128
_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_avx
_128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_1
28_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_12
8_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_12
8_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_12
8_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_12
8_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_12
8_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_f
ma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_f
ma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_128_f
ma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_128_f
ma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_128_f
ma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128
_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_128
_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_128
_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128
_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_128
_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx
_128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx
_128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx
_128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx
_128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx
_128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_
128_fma_double.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_
128_fma_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_avx_128_fma_single.cpp removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_
128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_128
_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_128
_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_128
_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_128
_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_128
_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_1
28_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_1
28_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx
_128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx
_128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx
_128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx
_128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx
_128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_12
8_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_12
8_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_12
8_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_
128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_
128_fma_single.cpp
removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_128_f
ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_128_f
ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_128_f
ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_128_f
ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_128_f
ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomP1P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW3P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW3W3_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW4P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwLJEw_GeomW4W4_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomP1P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW3W3_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJEwSh_GeomW4W4_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_1
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_1
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_1
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_1
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJEw_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJEwSh_GeomP1P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_1
28_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_12
8_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_128_f
ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_128_f
ma_single.cpp
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ma_single.cpp
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ma_single.cpp
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ma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_128
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_
128_fma_single.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_avx_256_double.cpp removed
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_
double.cpp
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double.cpp
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double.cpp
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double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_
double.cpp
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ble.cpp
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ble.cpp
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ble.cpp
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ble.cpp
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ble.cpp
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ouble.cpp
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ouble.cpp
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ouble.cpp
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ouble.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_d
ouble.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256
_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256
_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256
_double.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_do
uble.cpp
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uble.cpp
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uble.cpp
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uble.cpp
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uble.cpp
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src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_
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src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp added
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src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp added
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src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp added
src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp added
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