YAY!
authorMax <Infinity2573@gmail.com>
Fri, 10 Dec 2021 15:08:04 +0000 (18:08 +0300)
committerMax <Infinity2573@gmail.com>
Fri, 10 Dec 2021 15:08:04 +0000 (18:08 +0300)
commitc82a21b1627c60546cb3d205e2c5b9ced4b35bc0
tree5122fc8595b0e4d1fbcace1bba5dccacab7469e0
parenta90b93941e5e718fc3b8389d37917f9c5f08f15c
YAY!
1189 files changed:
CMakeLists.txt
cmake/FindGROMACS.cmake
src/CMakeLists.txt
src/include/gromacs/analysisdata/abstractdata.h [new file with mode: 0644]
src/include/gromacs/analysisdata/analysisdata.h [new file with mode: 0644]
src/include/gromacs/analysisdata/arraydata.h [new file with mode: 0644]
src/include/gromacs/analysisdata/dataframe.h [new file with mode: 0644]
src/include/gromacs/analysisdata/datamodule.h [new file with mode: 0644]
src/include/gromacs/analysisdata/datamodulemanager.h [new file with mode: 0644]
src/include/gromacs/analysisdata/dataproxy.h [new file with mode: 0644]
src/include/gromacs/analysisdata/datastorage.h [new file with mode: 0644]
src/include/gromacs/analysisdata/framelocaldata.h [new file with mode: 0644]
src/include/gromacs/analysisdata/modules/average.h [new file with mode: 0644]
src/include/gromacs/analysisdata/modules/displacement.h [new file with mode: 0644]
src/include/gromacs/analysisdata/modules/frameaverager.h [new file with mode: 0644]
src/include/gromacs/analysisdata/modules/histogram.h [new file with mode: 0644]
src/include/gromacs/analysisdata/modules/lifetime.h [new file with mode: 0644]
src/include/gromacs/analysisdata/modules/plot.h [new file with mode: 0644]
src/include/gromacs/analysisdata/paralleloptions.h [new file with mode: 0644]
src/include/gromacs/analysisdata/tests/datatest.h [new file with mode: 0644]
src/include/gromacs/analysisdata/tests/mock_datamodule.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/awh.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/bias.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/biasgrid.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/biasparams.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/biassharing.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/biasstate.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/biaswriter.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/coordstate.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/correlationgrid.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/correlationhistory.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/correlationtensor.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/dimparams.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/histogramsize.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/pointstate.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/read_params.h [new file with mode: 0644]
src/include/gromacs/applied_forces/awh/tests/awh_setup.h [new file with mode: 0644]
src/include/gromacs/applied_forces/densityfitting/densityfitting.h [new file with mode: 0644]
src/include/gromacs/applied_forces/densityfitting/densityfittingamplitudelookup.h [new file with mode: 0644]
src/include/gromacs/applied_forces/densityfitting/densityfittingforceprovider.h [new file with mode: 0644]
src/include/gromacs/applied_forces/densityfitting/densityfittingoptions.h [new file with mode: 0644]
src/include/gromacs/applied_forces/densityfitting/densityfittingoutputprovider.h [new file with mode: 0644]
src/include/gromacs/applied_forces/densityfitting/densityfittingparameters.h [new file with mode: 0644]
src/include/gromacs/applied_forces/electricfield.h [new file with mode: 0644]
src/include/gromacs/applied_forces/qmmm/qmmm.h [new file with mode: 0644]
src/include/gromacs/applied_forces/qmmm/qmmmforceprovider.h [new file with mode: 0644]
src/include/gromacs/applied_forces/qmmm/qmmminputgenerator.h [new file with mode: 0644]
src/include/gromacs/applied_forces/qmmm/qmmmoptions.h [new file with mode: 0644]
src/include/gromacs/applied_forces/qmmm/qmmmtopologypreprocessor.h [new file with mode: 0644]
src/include/gromacs/applied_forces/qmmm/qmmmtypes.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlinehelpcontext.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlinehelpmodule.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlinehelpwriter.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlineinit.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlinemodule.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlinemodulemanager.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlinemodulemanager_impl.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlineoptionsmodule.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlineparser.h [new file with mode: 0644]
src/include/gromacs/commandline/cmdlineprogramcontext.h [new file with mode: 0644]
src/include/gromacs/commandline/filenm.h [new file with mode: 0644]
src/include/gromacs/commandline/pargs.h [new file with mode: 0644]
src/include/gromacs/commandline/shellcompletions.h [new file with mode: 0644]
src/include/gromacs/commandline/tests/cmdlinemodulemanagertest.h [new file with mode: 0644]
src/include/gromacs/commandline/viewit.h [new file with mode: 0644]
src/include/gromacs/compat/mp11.h [new file with mode: 0644]
src/include/gromacs/compat/pointers.h [new file with mode: 0644]
src/include/gromacs/compat/utility.h [new file with mode: 0644]
src/include/gromacs/coordinateio/coordinatefile.h [new file with mode: 0644]
src/include/gromacs/coordinateio/enums.h [new file with mode: 0644]
src/include/gromacs/coordinateio/ioutputadapter.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadaptercontainer.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/outputselector.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/setatoms.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/setbox.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/setforces.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/setprecision.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/setstarttime.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/settimestep.h [new file with mode: 0644]
src/include/gromacs/coordinateio/outputadapters/setvelocities.h [new file with mode: 0644]
src/include/gromacs/coordinateio/requirements.h [new file with mode: 0644]
src/include/gromacs/coordinateio/tests/coordinate_test.h [new file with mode: 0644]
src/include/gromacs/coordinateio/tests/outputadapters.h [new file with mode: 0644]
src/include/gromacs/coordinateio/tests/requirements.h [new file with mode: 0644]
src/include/gromacs/coordinateio/tests/testmodule.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/autocorr.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/crosscorr.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/expfit.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/gmx_lmcurve.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/integrate.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/manyautocorrelation.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/polynomials.h [new file with mode: 0644]
src/include/gromacs/correlationfunctions/tests/correlationdataset.h [new file with mode: 0644]
src/include/gromacs/domdec/atomdistribution.h [new file with mode: 0644]
src/include/gromacs/domdec/box.h [new file with mode: 0644]
src/include/gromacs/domdec/cellsizes.h [new file with mode: 0644]
src/include/gromacs/domdec/collect.h [new file with mode: 0644]
src/include/gromacs/domdec/computemultibodycutoffs.h [new file with mode: 0644]
src/include/gromacs/domdec/distribute.h [new file with mode: 0644]
src/include/gromacs/domdec/dlb.h [new file with mode: 0644]
src/include/gromacs/domdec/dlbtiming.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_constraints.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_internal.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_network.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_setup.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_specatomcomm.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_struct.h [new file with mode: 0644]
src/include/gromacs/domdec/domdec_vsite.h [new file with mode: 0644]
src/include/gromacs/domdec/dump.h [new file with mode: 0644]
src/include/gromacs/domdec/ga2la.h [new file with mode: 0644]
src/include/gromacs/domdec/gpuhaloexchange.h [new file with mode: 0644]
src/include/gromacs/domdec/gpuhaloexchange_impl.cuh [new file with mode: 0644]
src/include/gromacs/domdec/hashedmap.h [new file with mode: 0644]
src/include/gromacs/domdec/localatomset.h [new file with mode: 0644]
src/include/gromacs/domdec/localatomsetdata.h [new file with mode: 0644]
src/include/gromacs/domdec/localatomsetmanager.h [new file with mode: 0644]
src/include/gromacs/domdec/localtopology.h [new file with mode: 0644]
src/include/gromacs/domdec/localtopologychecker.h [new file with mode: 0644]
src/include/gromacs/domdec/makebondedlinks.h [new file with mode: 0644]
src/include/gromacs/domdec/mdsetup.h [new file with mode: 0644]
src/include/gromacs/domdec/nsgrid.h [new file with mode: 0644]
src/include/gromacs/domdec/options.h [new file with mode: 0644]
src/include/gromacs/domdec/partition.h [new file with mode: 0644]
src/include/gromacs/domdec/redistribute.h [new file with mode: 0644]
src/include/gromacs/domdec/reversetopology.h [new file with mode: 0644]
src/include/gromacs/domdec/utility.h [new file with mode: 0644]
src/include/gromacs/essentialdynamics/edsam.h [new file with mode: 0644]
src/include/gromacs/ewald/calculate_spline_moduli.h [new file with mode: 0644]
src/include/gromacs/ewald/ewald.h [new file with mode: 0644]
src/include/gromacs/ewald/ewald_utils.h [new file with mode: 0644]
src/include/gromacs/ewald/long_range_correction.h [new file with mode: 0644]
src/include/gromacs/ewald/pme.cuh [new file with mode: 0644]
src/include/gromacs/ewald/pme.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_coordinate_receiver_gpu.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_coordinate_receiver_gpu_impl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_force_sender_gpu.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_force_sender_gpu_impl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gather.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gather_sycl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_calculate_splines.clh [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_calculate_splines.cuh [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_calculate_splines.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_calculate_splines_sycl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_constants.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_internal.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_program.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_program_impl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_settings.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_staging.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_timings.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_types.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_types_host.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_gpu_types_host_impl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_grid.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_internal.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_load_balancing.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_only.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_output.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_pp.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_pp_comm_gpu.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_pp_comm_gpu_impl.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_pp_communication.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_redistribute.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_simd.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_simd4.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_solve.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_spline_work.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_spread.h [new file with mode: 0644]
src/include/gromacs/ewald/pme_spread_sycl.h [new file with mode: 0644]
src/include/gromacs/ewald/spline_vectors.h [new file with mode: 0644]
src/include/gromacs/ewald/tests/pmetestcommon.h [new file with mode: 0644]
src/include/gromacs/external/boost/stl_interfaces/fwd.hpp [new file with mode: 0644]
src/include/gromacs/external/boost/stl_interfaces/iterator_interface.hpp [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/clAmdFft.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/clAmdFft.version.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/clFFT.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/clFFT.version.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/convenienceFunctions.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/sharedLibrary.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/stdafx.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/targetver.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/include/unicode.compatibility.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/action.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/action.transpose.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/fft_binary_lookup.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/generator.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/generator.stockham.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/generator.transpose.gcn.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/generator.transpose.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/lock.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/mainpage.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/md5sum.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/plan.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/private.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/library/repo.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/statTimer/statisticalTimer.CPU.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/statTimer/statisticalTimer.GPU.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/statTimer/statisticalTimer.extern.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/statTimer/statisticalTimer.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/statTimer/stdafx.h [new file with mode: 0644]
src/include/gromacs/external/clFFT/src/statTimer/targetver.h [new file with mode: 0644]
src/include/gromacs/external/fftpack/fftpack.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-actions.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-cardinalities.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-function-mocker.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-matchers.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-more-actions.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-more-matchers.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-nice-strict.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock-spec-builders.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/gmock.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/internal/custom/gmock-generated-actions.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/internal/custom/gmock-matchers.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/internal/custom/gmock-port.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/internal/gmock-internal-utils.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/internal/gmock-port.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/include/gmock/internal/gmock-pp.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googlemock/test/gmock_link_test.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-death-test.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-matchers.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-message.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-param-test.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-printers.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-spi.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-test-part.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest-typed-test.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest_pred_impl.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/gtest_prod.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/custom/gtest-port.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/custom/gtest-printers.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/custom/gtest.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-death-test-internal.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-filepath.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-internal.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-param-util.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-port-arch.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-port.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-string.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/include/gtest/internal/gtest-type-util.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/samples/prime_tables.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/samples/sample1.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/samples/sample2.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/samples/sample3-inl.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/samples/sample4.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/src/gtest-internal-inl.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/test/googletest-param-test-test.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/test/gtest-typed-test_test.h [new file with mode: 0644]
src/include/gromacs/external/googletest/googletest/test/production.h [new file with mode: 0644]
src/include/gromacs/external/lmfit/lmmin.h [new file with mode: 0644]
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src/include/gromacs/external/muparser/include/muParserBytecode.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserCallback.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserDLL.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserDef.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserError.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserFixes.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserInt.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserTemplateMagic.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserTest.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserToken.h [new file with mode: 0644]
src/include/gromacs/external/muparser/include/muParserTokenReader.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/cce.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/cce_intrinsics.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/cce_spinlock.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/cycles.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/derived.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/fujitsu_sparc64.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/gcc.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/gcc_ia64.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/gcc_intrinsics.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/gcc_ppc.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/gcc_spinlock.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/gcc_x86.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/msvc.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/suncc-sparc.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/atomic/xlc_ppc.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/barrier.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/collective.h [new file with mode: 0644]
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src/include/gromacs/external/thread_mpi/include/thread_mpi/hwinfo.h [new file with mode: 0644]
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src/include/gromacs/external/thread_mpi/include/thread_mpi/lock.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/mpi_bindings.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/numa_malloc.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/include/thread_mpi/threads.h [new file with mode: 0644]
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src/include/gromacs/external/thread_mpi/src/collective.h [new file with mode: 0644]
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src/include/gromacs/external/thread_mpi/src/profile.h [new file with mode: 0644]
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src/include/gromacs/external/thread_mpi/src/settings.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/src/tmpi_ops.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/src/unused.h [new file with mode: 0644]
src/include/gromacs/external/thread_mpi/src/winthreads.h [new file with mode: 0644]
src/include/gromacs/external/tinyxml2/tinyxml2.h [new file with mode: 0755]
src/include/gromacs/external/tng_io/external/zlib/crc32.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/deflate.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/inffast.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/inffixed.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/inflate.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/inftrees.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/trees.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/zconf.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/zlib.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/external/zlib/zutil.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/bwlzh.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/bwt.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/coder.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/dict.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/fixpoint.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/huffman.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/lz77.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/merge_sort.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/mtf.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/my64bit.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/rle.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/tng_compress.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/vals16.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/warnmalloc.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/compression/widemuldiv.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/tng/md5.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/tng/tng_io.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/tng/tng_io.hpp [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/tng/tng_io_fwd.h [new file with mode: 0644]
src/include/gromacs/external/tng_io/include/tng/version.h.in [new file with mode: 0644]
src/include/gromacs/external/tng_io/src/tests/compression/test1.h [new file with mode: 0644]
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src/include/gromacs/external/tng_io/src/tests/compression/test16.h [new file with mode: 0644]
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src/include/gromacs/external/vmd_molfile/molfile_plugin.h [new file with mode: 0644]
src/include/gromacs/external/vmd_molfile/vmddlopen.h [new file with mode: 0644]
src/include/gromacs/external/vmd_molfile/vmdplugin.h [new file with mode: 0644]
src/include/gromacs/fft/calcgrid.h [new file with mode: 0644]
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src/include/gromacs/fft/fft5d.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_cufft.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_heffte.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_impl.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_ocl.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_sycl.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_sycl_mkl.h [new file with mode: 0644]
src/include/gromacs/fft/gpu_3dfft_sycl_rocfft.h [new file with mode: 0644]
src/include/gromacs/fft/parallel_3dfft.h [new file with mode: 0644]
src/include/gromacs/fileio/checkpoint.h [new file with mode: 0644]
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src/include/gromacs/fileio/g96io.h [new file with mode: 0644]
src/include/gromacs/fileio/gmx_internal_xdr.h [new file with mode: 0644]
src/include/gromacs/fileio/gmxfio.h [new file with mode: 0644]
src/include/gromacs/fileio/gmxfio_impl.h [new file with mode: 0644]
src/include/gromacs/fileio/gmxfio_xdr.h [new file with mode: 0644]
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src/include/gromacs/fileio/timecontrol.h [new file with mode: 0644]
src/include/gromacs/fileio/tngio.h [new file with mode: 0644]
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src/include/gromacs/fileio/vmdio.h [new file with mode: 0644]
src/include/gromacs/fileio/warninp.h [new file with mode: 0644]
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src/include/gromacs/fileio/xdr_datatype.h [new file with mode: 0644]
src/include/gromacs/fileio/xdrf.h [new file with mode: 0644]
src/include/gromacs/fileio/xtcio.h [new file with mode: 0644]
src/include/gromacs/fileio/xvgr.h [new file with mode: 0644]
src/include/gromacs/gmxana/angle_correction.h [new file with mode: 0644]
src/include/gromacs/gmxana/binsearch.h [new file with mode: 0644]
src/include/gromacs/gmxana/cluster_methods.h [new file with mode: 0644]
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src/include/gromacs/gmxana/dens_filter.h [new file with mode: 0644]
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src/include/gromacs/gmxana/thermochemistry.h [new file with mode: 0644]
src/include/gromacs/gmxlib/conformation_utilities.h [new file with mode: 0644]
src/include/gromacs/gmxlib/network.h [new file with mode: 0644]
src/include/gromacs/gmxlib/nonbonded/nb_free_energy.h [new file with mode: 0644]
src/include/gromacs/gmxlib/nonbonded/nb_softcore.h [new file with mode: 0644]
src/include/gromacs/gmxlib/nonbonded/nonbonded.h [new file with mode: 0644]
src/include/gromacs/gmxlib/nrnb.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/add_par.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/calch.h [new file with mode: 0644]
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src/include/gromacs/gmxpreprocess/fflibutil.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/gen_ad.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/gen_maxwell_velocities.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/gen_vsite.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/genconf.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/genhydro.h [new file with mode: 0644]
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src/include/gromacs/gmxpreprocess/genrestr.h [new file with mode: 0644]
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src/include/gromacs/gmxpreprocess/gpp_atomtype.h [new file with mode: 0644]
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src/include/gromacs/gmxpreprocess/insert_molecules.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/makeexclusiondistances.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/nm2type.h [new file with mode: 0644]
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src/include/gromacs/gmxpreprocess/specbond.h [new file with mode: 0644]
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src/include/gromacs/gmxpreprocess/toputil.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/vsite_parm.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/x2top.h [new file with mode: 0644]
src/include/gromacs/gmxpreprocess/xlate.h [new file with mode: 0644]
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src/include/gromacs/gpu_utils/tests/typecasts_runner.h [new file with mode: 0644]
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src/include/gromacs/hardware/hardwaretopology.h [new file with mode: 0644]
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src/include/gromacs/hardware/identifyavx512fmaunits.h [new file with mode: 0644]
src/include/gromacs/hardware/prepare_detection.h [new file with mode: 0644]
src/include/gromacs/hardware/printhardware.h [new file with mode: 0644]
src/include/gromacs/imd/imd.h [new file with mode: 0644]
src/include/gromacs/imd/imdsocket.h [new file with mode: 0644]
src/include/gromacs/linearalgebra/eigensolver.h [new file with mode: 0644]
src/include/gromacs/linearalgebra/gmx_arpack.h [new file with mode: 0644]
src/include/gromacs/linearalgebra/gmx_blas.h [new file with mode: 0644]
src/include/gromacs/linearalgebra/gmx_lapack.h [new file with mode: 0644]
src/include/gromacs/linearalgebra/gmx_lapack/lapack_limits.h [new file with mode: 0644]
src/include/gromacs/linearalgebra/matrix.h [new file with mode: 0644]
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src/include/gromacs/listed_forces/listed_forces_gpu_impl.h [new file with mode: 0644]
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src/include/gromacs/listed_forces/manage_threading.h [new file with mode: 0644]
src/include/gromacs/listed_forces/orires.h [new file with mode: 0644]
src/include/gromacs/listed_forces/pairs.h [new file with mode: 0644]
src/include/gromacs/listed_forces/position_restraints.h [new file with mode: 0644]
src/include/gromacs/listed_forces/restcbt.h [new file with mode: 0644]
src/include/gromacs/listed_forces/utilities.h [new file with mode: 0644]
src/include/gromacs/math/3dtransforms.h [new file with mode: 0644]
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src/include/gromacs/math/exponentialmovingaverage.h [new file with mode: 0644]
src/include/gromacs/math/gausstransform.h [new file with mode: 0644]
src/include/gromacs/math/gmxcomplex.h [new file with mode: 0644]
src/include/gromacs/math/invertmatrix.h [new file with mode: 0644]
src/include/gromacs/math/matrix.h [new file with mode: 0644]
src/include/gromacs/math/multidimarray.h [new file with mode: 0644]
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src/include/gromacs/math/optimization.h [new file with mode: 0644]
src/include/gromacs/math/paddedvector.h [new file with mode: 0644]
src/include/gromacs/math/tests/testarrayrefs.h [new file with mode: 0644]
src/include/gromacs/math/veccompare.h [new file with mode: 0644]
src/include/gromacs/math/vecdump.h [new file with mode: 0644]
src/include/gromacs/mdlib/boxdeformation.h [new file with mode: 0644]
src/include/gromacs/mdlib/broadcaststructs.h [new file with mode: 0644]
src/include/gromacs/mdlib/calc_verletbuf.h [new file with mode: 0644]
src/include/gromacs/mdlib/calcmu.h [new file with mode: 0644]
src/include/gromacs/mdlib/calcvir.h [new file with mode: 0644]
src/include/gromacs/mdlib/checkpointhandler.h [new file with mode: 0644]
src/include/gromacs/mdlib/compute_io.h [new file with mode: 0644]
src/include/gromacs/mdlib/constr.h [new file with mode: 0644]
src/include/gromacs/mdlib/constraintrange.h [new file with mode: 0644]
src/include/gromacs/mdlib/coupling.h [new file with mode: 0644]
src/include/gromacs/mdlib/dispersioncorrection.h [new file with mode: 0644]
src/include/gromacs/mdlib/ebin.h [new file with mode: 0644]
src/include/gromacs/mdlib/enerdata_utils.h [new file with mode: 0644]
src/include/gromacs/mdlib/energydrifttracker.h [new file with mode: 0644]
src/include/gromacs/mdlib/energyoutput.h [new file with mode: 0644]
src/include/gromacs/mdlib/expanded.h [new file with mode: 0644]
src/include/gromacs/mdlib/expanded_internal.h [new file with mode: 0644]
src/include/gromacs/mdlib/force.h [new file with mode: 0644]
src/include/gromacs/mdlib/force_flags.h [new file with mode: 0644]
src/include/gromacs/mdlib/forcerec.h [new file with mode: 0644]
src/include/gromacs/mdlib/freeenergyparameters.h [new file with mode: 0644]
src/include/gromacs/mdlib/gmx_omp_nthreads.h [new file with mode: 0644]
src/include/gromacs/mdlib/gpuforcereduction.h [new file with mode: 0644]
src/include/gromacs/mdlib/gpuforcereduction_impl.h [new file with mode: 0644]
src/include/gromacs/mdlib/gpuforcereduction_impl_internal.h [new file with mode: 0644]
src/include/gromacs/mdlib/groupcoord.h [new file with mode: 0644]
src/include/gromacs/mdlib/leapfrog_gpu.h [new file with mode: 0644]
src/include/gromacs/mdlib/leapfrog_gpu_internal.h [new file with mode: 0644]
src/include/gromacs/mdlib/lincs.h [new file with mode: 0644]
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src/include/gromacs/mdlib/lincs_gpu_internal.h [new file with mode: 0644]
src/include/gromacs/mdlib/makeconstraints.h [new file with mode: 0644]
src/include/gromacs/mdlib/md_support.h [new file with mode: 0644]
src/include/gromacs/mdlib/mdatoms.h [new file with mode: 0644]
src/include/gromacs/mdlib/mdebin_bar.h [new file with mode: 0644]
src/include/gromacs/mdlib/mdoutf.h [new file with mode: 0644]
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src/include/gromacs/mdlib/perf_est.h [new file with mode: 0644]
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src/include/gromacs/mdlib/resethandler.h [new file with mode: 0644]
src/include/gromacs/mdlib/rf_util.h [new file with mode: 0644]
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src/include/gromacs/mdlib/settle_gpu_internal.h [new file with mode: 0644]
src/include/gromacs/mdlib/shake.h [new file with mode: 0644]
src/include/gromacs/mdlib/sighandler.h [new file with mode: 0644]
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src/include/gromacs/mdlib/stophandler.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/constrtestdata.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/constrtestrunners.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/leapfrogtestdata.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/leapfrogtestrunners.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/settletestdata.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/settletestrunners.h [new file with mode: 0644]
src/include/gromacs/mdlib/tests/watersystem.h [new file with mode: 0644]
src/include/gromacs/mdlib/tgroup.h [new file with mode: 0644]
src/include/gromacs/mdlib/trajectory_writing.h [new file with mode: 0644]
src/include/gromacs/mdlib/update.h [new file with mode: 0644]
src/include/gromacs/mdlib/update_constrain_gpu.h [new file with mode: 0644]
src/include/gromacs/mdlib/update_constrain_gpu_impl.h [new file with mode: 0644]
src/include/gromacs/mdlib/update_constrain_gpu_internal.h [new file with mode: 0644]
src/include/gromacs/mdlib/update_vv.h [new file with mode: 0644]
src/include/gromacs/mdlib/updategroups.h [new file with mode: 0644]
src/include/gromacs/mdlib/updategroupscog.h [new file with mode: 0644]
src/include/gromacs/mdlib/vcm.h [new file with mode: 0644]
src/include/gromacs/mdlib/vsite.h [new file with mode: 0644]
src/include/gromacs/mdlib/wall.h [new file with mode: 0644]
src/include/gromacs/mdlib/wholemoleculetransform.h [new file with mode: 0644]
src/include/gromacs/mdrun/isimulator.h [new file with mode: 0644]
src/include/gromacs/mdrun/legacymdrunoptions.h [new file with mode: 0644]
src/include/gromacs/mdrun/legacysimulator.h [new file with mode: 0644]
src/include/gromacs/mdrun/mdmodules.h [new file with mode: 0644]
src/include/gromacs/mdrun/membedholder.h [new file with mode: 0644]
src/include/gromacs/mdrun/minimize.h [new file with mode: 0644]
src/include/gromacs/mdrun/replicaexchange.h [new file with mode: 0644]
src/include/gromacs/mdrun/runner.h [new file with mode: 0644]
src/include/gromacs/mdrun/shellfc.h [new file with mode: 0644]
src/include/gromacs/mdrun/simulationcontext.h [new file with mode: 0644]
src/include/gromacs/mdrun/simulationinput.h [new file with mode: 0644]
src/include/gromacs/mdrun/simulationinputhandle.h [new file with mode: 0644]
src/include/gromacs/mdrun/simulatorbuilder.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/freeenergy.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/handlerestart.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/logging.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/multisim.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/printtime.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/tests/threadaffinitytest.h [new file with mode: 0644]
src/include/gromacs/mdrunutility/threadaffinity.h [new file with mode: 0644]
src/include/gromacs/mdspan/accessor_policy.h [new file with mode: 0644]
src/include/gromacs/mdspan/extensions.h [new file with mode: 0644]
src/include/gromacs/mdspan/extents.h [new file with mode: 0644]
src/include/gromacs/mdspan/layouts.h [new file with mode: 0644]
src/include/gromacs/mdspan/mdspan.h [new file with mode: 0644]
src/include/gromacs/mdtypes/atominfo.h [new file with mode: 0644]
src/include/gromacs/mdtypes/awh_correlation_history.h [new file with mode: 0644]
src/include/gromacs/mdtypes/awh_history.h [new file with mode: 0644]
src/include/gromacs/mdtypes/awh_params.h [new file with mode: 0644]
src/include/gromacs/mdtypes/checkpointdata.h [new file with mode: 0644]
src/include/gromacs/mdtypes/commrec.h [new file with mode: 0644]
src/include/gromacs/mdtypes/df_history.h [new file with mode: 0644]
src/include/gromacs/mdtypes/edsamhistory.h [new file with mode: 0644]
src/include/gromacs/mdtypes/enerdata.h [new file with mode: 0644]
src/include/gromacs/mdtypes/energyhistory.h [new file with mode: 0644]
src/include/gromacs/mdtypes/fcdata.h [new file with mode: 0644]
src/include/gromacs/mdtypes/forcebuffers.h [new file with mode: 0644]
src/include/gromacs/mdtypes/forceoutput.h [new file with mode: 0644]
src/include/gromacs/mdtypes/forcerec.h [new file with mode: 0644]
src/include/gromacs/mdtypes/group.h [new file with mode: 0644]
src/include/gromacs/mdtypes/iforceprovider.h [new file with mode: 0644]
src/include/gromacs/mdtypes/imdmodule.h [new file with mode: 0644]
src/include/gromacs/mdtypes/imdoutputprovider.h [new file with mode: 0644]
src/include/gromacs/mdtypes/imdpoptionprovider.h [new file with mode: 0644]
src/include/gromacs/mdtypes/inputrec.h [new file with mode: 0644]
src/include/gromacs/mdtypes/interaction_const.h [new file with mode: 0644]
src/include/gromacs/mdtypes/locality.h [new file with mode: 0644]
src/include/gromacs/mdtypes/md_enums.h [new file with mode: 0644]
src/include/gromacs/mdtypes/mdatom.h [new file with mode: 0644]
src/include/gromacs/mdtypes/mdrunoptions.h [new file with mode: 0644]
src/include/gromacs/mdtypes/multipletimestepping.h [new file with mode: 0644]
src/include/gromacs/mdtypes/nblist.h [new file with mode: 0644]
src/include/gromacs/mdtypes/observableshistory.h [new file with mode: 0644]
src/include/gromacs/mdtypes/observablesreducer.h [new file with mode: 0644]
src/include/gromacs/mdtypes/pull_params.h [new file with mode: 0644]
src/include/gromacs/mdtypes/pullhistory.h [new file with mode: 0644]
src/include/gromacs/mdtypes/simulation_workload.h [new file with mode: 0644]
src/include/gromacs/mdtypes/state.h [new file with mode: 0644]
src/include/gromacs/mdtypes/state_propagator_data_gpu.h [new file with mode: 0644]
src/include/gromacs/mdtypes/state_propagator_data_gpu_impl.h [new file with mode: 0644]
src/include/gromacs/mdtypes/swaphistory.h [new file with mode: 0644]
src/include/gromacs/mdtypes/threaded_force_buffer.h [new file with mode: 0644]
src/include/gromacs/mimic/communicator.h [new file with mode: 0644]
src/include/gromacs/mimic/utilities.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/andersentemperaturecoupling.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/checkpointhelper.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/compositesimulatorelement.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/computeglobalselement.h [new file with mode: 0644]
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src/include/gromacs/modularsimulator/domdechelper.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/energydata.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/expandedensembleelement.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/firstorderpressurecoupling.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/forceelement.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/freeenergyperturbationdata.h [new file with mode: 0644]
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src/include/gromacs/modularsimulator/nosehooverchains.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/parrinellorahmanbarostat.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/pmeloadbalancehelper.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/propagator.h [new file with mode: 0644]
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src/include/gromacs/modularsimulator/referencetemperaturemanager.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/signallers.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/simulatoralgorithm.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/statepropagatordata.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/topologyholder.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/trajectoryelement.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/trotterhelperfunctions.h [new file with mode: 0644]
src/include/gromacs/modularsimulator/velocityscalingtemperaturecoupling.h [new file with mode: 0644]
src/include/gromacs/nbnxm/atomdata.h [new file with mode: 0644]
src/include/gromacs/nbnxm/benchmark/bench_coords.h [new file with mode: 0644]
src/include/gromacs/nbnxm/benchmark/bench_setup.h [new file with mode: 0644]
src/include/gromacs/nbnxm/benchmark/bench_system.h [new file with mode: 0644]
src/include/gromacs/nbnxm/boundingboxes.h [new file with mode: 0644]
src/include/gromacs/nbnxm/clusterdistancekerneltype.h [new file with mode: 0644]
src/include/gromacs/nbnxm/cuda/nbnxm_cuda.h [new file with mode: 0644]
src/include/gromacs/nbnxm/cuda/nbnxm_cuda_kernels.cuh [new file with mode: 0644]
src/include/gromacs/nbnxm/cuda/nbnxm_cuda_types.h [new file with mode: 0644]
src/include/gromacs/nbnxm/freeenergydispatch.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gpu_common.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gpu_common_utils.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gpu_data_mgmt.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gpu_jit_support.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gpu_types_common.h [new file with mode: 0644]
src/include/gromacs/nbnxm/grid.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gridset.h [new file with mode: 0644]
src/include/gromacs/nbnxm/gridsetdata.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernel_common.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernel_file_generator/kernel_simd_template.h.pre [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_reference/kernel_ref.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_reference/kernel_ref_includes.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_reference/kernel_ref_inner.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_reference/kernel_ref_outer.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_reference/kernel_ref_prune.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_2xmm/kernels.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_4xm/kernel_common.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_4xm/kernel_inner.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_4xm/kernel_outer.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h [new file with mode: 0644]
src/include/gromacs/nbnxm/kernels_simd_4xm/kernels.h [new file with mode: 0644]
src/include/gromacs/nbnxm/nbnxm.h [new file with mode: 0644]
src/include/gromacs/nbnxm/nbnxm_geometry.h [new file with mode: 0644]
src/include/gromacs/nbnxm/nbnxm_gpu.h [new file with mode: 0644]
src/include/gromacs/nbnxm/nbnxm_gpu_buffer_ops_internal.h [new file with mode: 0644]
src/include/gromacs/nbnxm/nbnxm_gpu_data_mgmt.h [new file with mode: 0644]
src/include/gromacs/nbnxm/nbnxm_simd.h [new file with mode: 0644]
src/include/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h [new file with mode: 0644]
src/include/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_pruneonly.clh [new file with mode: 0644]
src/include/gromacs/nbnxm/opencl/nbnxm_ocl_types.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlist.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlist_simd_2xmm.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlist_simd_4xm.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlist_tuning.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlistparams.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlistset.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlistsets.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairlistwork.h [new file with mode: 0644]
src/include/gromacs/nbnxm/pairsearch.h [new file with mode: 0644]
src/include/gromacs/nbnxm/sycl/nbnxm_sycl_kernel.h [new file with mode: 0644]
src/include/gromacs/nbnxm/sycl/nbnxm_sycl_kernel_pruneonly.h [new file with mode: 0644]
src/include/gromacs/nbnxm/sycl/nbnxm_sycl_kernel_utils.h [new file with mode: 0644]
src/include/gromacs/nbnxm/sycl/nbnxm_sycl_types.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/helpformat.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/helpmanager.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/helptopic.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/helpwritercontext.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/ihelptopic.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/rstparser.h [new file with mode: 0644]
src/include/gromacs/onlinehelp/tests/mock_helptopic.h [new file with mode: 0644]
src/include/gromacs/options/abstractoption.h [new file with mode: 0644]
src/include/gromacs/options/abstractoptionstorage.h [new file with mode: 0644]
src/include/gromacs/options/abstractsection.h [new file with mode: 0644]
src/include/gromacs/options/basicoptions.h [new file with mode: 0644]
src/include/gromacs/options/basicoptionstorage.h [new file with mode: 0644]
src/include/gromacs/options/behaviorcollection.h [new file with mode: 0644]
src/include/gromacs/options/filenameoption.h [new file with mode: 0644]
src/include/gromacs/options/filenameoptionmanager.h [new file with mode: 0644]
src/include/gromacs/options/filenameoptionstorage.h [new file with mode: 0644]
src/include/gromacs/options/ioptionsbehavior.h [new file with mode: 0644]
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src/include/gromacs/options/ioptionscontainerwithsections.h [new file with mode: 0644]
src/include/gromacs/options/isectionstorage.h [new file with mode: 0644]
src/include/gromacs/options/ivaluestore.h [new file with mode: 0644]
src/include/gromacs/options/optionfiletype.h [new file with mode: 0644]
src/include/gromacs/options/optionflags.h [new file with mode: 0644]
src/include/gromacs/options/optionmanagercontainer.h [new file with mode: 0644]
src/include/gromacs/options/options.h [new file with mode: 0644]
src/include/gromacs/options/options_impl.h [new file with mode: 0644]
src/include/gromacs/options/optionsassigner.h [new file with mode: 0644]
src/include/gromacs/options/optionsection.h [new file with mode: 0644]
src/include/gromacs/options/optionstoragetemplate.h [new file with mode: 0644]
src/include/gromacs/options/optionsvisitor.h [new file with mode: 0644]
src/include/gromacs/options/repeatingsection.h [new file with mode: 0644]
src/include/gromacs/options/timeunitmanager.h [new file with mode: 0644]
src/include/gromacs/options/treesupport.h [new file with mode: 0644]
src/include/gromacs/options/valueconverter.h [new file with mode: 0644]
src/include/gromacs/options/valuestore.h [new file with mode: 0644]
src/include/gromacs/pbcutil/boxutilities.h [new file with mode: 0644]
src/include/gromacs/pbcutil/com.h [new file with mode: 0644]
src/include/gromacs/pbcutil/ishift.h [new file with mode: 0644]
src/include/gromacs/pbcutil/mshift.h [new file with mode: 0644]
src/include/gromacs/pbcutil/pbc.h [new file with mode: 0644]
src/include/gromacs/pbcutil/pbc_aiuc.h [new file with mode: 0644]
src/include/gromacs/pbcutil/pbc_aiuc_sycl.h [new file with mode: 0644]
src/include/gromacs/pbcutil/pbc_simd.h [new file with mode: 0644]
src/include/gromacs/pbcutil/pbcenums.h [new file with mode: 0644]
src/include/gromacs/pbcutil/pbcmethods.h [new file with mode: 0644]
src/include/gromacs/pbcutil/rmpbc.h [new file with mode: 0644]
src/include/gromacs/pulling/output.h [new file with mode: 0644]
src/include/gromacs/pulling/pull.h [new file with mode: 0644]
src/include/gromacs/pulling/pull_internal.h [new file with mode: 0644]
src/include/gromacs/pulling/pull_rotation.h [new file with mode: 0644]
src/include/gromacs/pulling/pullcoordexpressionparser.h [new file with mode: 0644]
src/include/gromacs/pulling/transformationcoordinate.h [new file with mode: 0644]
src/include/gromacs/random/exponentialdistribution.h [new file with mode: 0644]
src/include/gromacs/random/gammadistribution.h [new file with mode: 0644]
src/include/gromacs/random/normaldistribution.h [new file with mode: 0644]
src/include/gromacs/random/seed.h [new file with mode: 0644]
src/include/gromacs/random/tabulatednormaldistribution.h [new file with mode: 0644]
src/include/gromacs/random/threefry.h [new file with mode: 0644]
src/include/gromacs/random/uniformintdistribution.h [new file with mode: 0644]
src/include/gromacs/random/uniformrealdistribution.h [new file with mode: 0644]
src/include/gromacs/restraint/manager.h [new file with mode: 0644]
src/include/gromacs/restraint/restraintmdmodule.h [new file with mode: 0644]
src/include/gromacs/restraint/restraintmdmodule_impl.h [new file with mode: 0644]
src/include/gromacs/selection/centerofmass.h [new file with mode: 0644]
src/include/gromacs/selection/compiler.h [new file with mode: 0644]
src/include/gromacs/selection/evaluate.h [new file with mode: 0644]
src/include/gromacs/selection/indexutil.h [new file with mode: 0644]
src/include/gromacs/selection/keywords.h [new file with mode: 0644]
src/include/gromacs/selection/mempool.h [new file with mode: 0644]
src/include/gromacs/selection/nbsearch.h [new file with mode: 0644]
src/include/gromacs/selection/parser.h [new file with mode: 0644]
src/include/gromacs/selection/parser_internal.h [new file with mode: 0644]
src/include/gromacs/selection/parsetree.h [new file with mode: 0644]
src/include/gromacs/selection/poscalc.h [new file with mode: 0644]
src/include/gromacs/selection/position.h [new file with mode: 0644]
src/include/gromacs/selection/scanner.h [new file with mode: 0644]
src/include/gromacs/selection/scanner_flex.h [new file with mode: 0644]
src/include/gromacs/selection/scanner_internal.h [new file with mode: 0644]
src/include/gromacs/selection/selection.h [new file with mode: 0644]
src/include/gromacs/selection/selectioncollection.h [new file with mode: 0644]
src/include/gromacs/selection/selectioncollection_impl.h [new file with mode: 0644]
src/include/gromacs/selection/selectionenums.h [new file with mode: 0644]
src/include/gromacs/selection/selectionfileoption.h [new file with mode: 0644]
src/include/gromacs/selection/selectionfileoptionstorage.h [new file with mode: 0644]
src/include/gromacs/selection/selectionoption.h [new file with mode: 0644]
src/include/gromacs/selection/selectionoptionbehavior.h [new file with mode: 0644]
src/include/gromacs/selection/selectionoptionmanager.h [new file with mode: 0644]
src/include/gromacs/selection/selectionoptionstorage.h [new file with mode: 0644]
src/include/gromacs/selection/selelem.h [new file with mode: 0644]
src/include/gromacs/selection/selhelp.h [new file with mode: 0644]
src/include/gromacs/selection/selmethod.h [new file with mode: 0644]
src/include/gromacs/selection/selmethod_impl.h [new file with mode: 0644]
src/include/gromacs/selection/selparam.h [new file with mode: 0644]
src/include/gromacs/selection/selvalue.h [new file with mode: 0644]
src/include/gromacs/selection/symrec.h [new file with mode: 0644]
src/include/gromacs/selection/tests/toputils.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_neon_asimd/impl_arm_neon_asimd_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_arm_sve/impl_arm_sve_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_ibm_vsx/impl_ibm_vsx_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_none/impl_none.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_reference/impl_reference_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_128/impl_x86_avx2_128_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx2_256/impl_x86_avx2_256_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_128_fma/impl_x86_avx_128_fma_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512/impl_x86_avx_512_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_simd4_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_avx_512_knl/impl_x86_avx_512_knl_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse2/impl_x86_sse2_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_definitions.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_general.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_simd4_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_simd_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_simd_float.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_util_double.h [new file with mode: 0644]
src/include/gromacs/simd/impl_x86_sse4_1/impl_x86_sse4_1_util_float.h [new file with mode: 0644]
src/include/gromacs/simd/scalar/scalar.h [new file with mode: 0644]
src/include/gromacs/simd/scalar/scalar_math.h [new file with mode: 0644]
src/include/gromacs/simd/scalar/scalar_util.h [new file with mode: 0644]
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src/include/gromacs/simd/simd_math.h [new file with mode: 0644]
src/include/gromacs/simd/simd_memory.h [new file with mode: 0644]
src/include/gromacs/simd/support.h [new file with mode: 0644]
src/include/gromacs/simd/tests/base.h [new file with mode: 0644]
src/include/gromacs/simd/tests/data.h [new file with mode: 0644]
src/include/gromacs/simd/tests/simd.h [new file with mode: 0644]
src/include/gromacs/simd/tests/simd4.h [new file with mode: 0644]
src/include/gromacs/simd/vector_operations.h [new file with mode: 0644]
src/include/gromacs/statistics/statistics.h [new file with mode: 0644]
src/include/gromacs/swap/swapcoords.h [new file with mode: 0644]
src/include/gromacs/tables/cubicsplinetable.h [new file with mode: 0644]
src/include/gromacs/tables/forcetable.h [new file with mode: 0644]
src/include/gromacs/tables/quadraticsplinetable.h [new file with mode: 0644]
src/include/gromacs/tables/splineutil.h [new file with mode: 0644]
src/include/gromacs/tables/tableinput.h [new file with mode: 0644]
src/include/gromacs/taskassignment/decidegpuusage.h [new file with mode: 0644]
src/include/gromacs/taskassignment/decidesimulationworkload.h [new file with mode: 0644]
src/include/gromacs/taskassignment/findallgputasks.h [new file with mode: 0644]
src/include/gromacs/taskassignment/reportgpuusage.h [new file with mode: 0644]
src/include/gromacs/taskassignment/resourcedivision.h [new file with mode: 0644]
src/include/gromacs/taskassignment/taskassignment.h [new file with mode: 0644]
src/include/gromacs/taskassignment/usergpuids.h [new file with mode: 0644]
src/include/gromacs/timing/cyclecounter.h [new file with mode: 0644]
src/include/gromacs/timing/gpu_timing.h [new file with mode: 0644]
src/include/gromacs/timing/wallcycle.h [new file with mode: 0644]
src/include/gromacs/timing/wallcyclereporting.h [new file with mode: 0644]
src/include/gromacs/timing/walltime_accounting.h [new file with mode: 0644]
src/include/gromacs/tools/check.h [new file with mode: 0644]
src/include/gromacs/tools/convert_tpr.h [new file with mode: 0644]
src/include/gromacs/tools/dump.h [new file with mode: 0644]
src/include/gromacs/tools/eneconv.h [new file with mode: 0644]
src/include/gromacs/tools/make_ndx.h [new file with mode: 0644]
src/include/gromacs/tools/mk_angndx.h [new file with mode: 0644]
src/include/gromacs/tools/pme_error.h [new file with mode: 0644]
src/include/gromacs/tools/report_methods.h [new file with mode: 0644]
src/include/gromacs/tools/trjcat.h [new file with mode: 0644]
src/include/gromacs/tools/trjconv.h [new file with mode: 0644]
src/include/gromacs/tools/tune_pme.h [new file with mode: 0644]
src/include/gromacs/topology/atomprop.h [new file with mode: 0644]
src/include/gromacs/topology/atoms.h [new file with mode: 0644]
src/include/gromacs/topology/atomsbuilder.h [new file with mode: 0644]
src/include/gromacs/topology/block.h [new file with mode: 0644]
src/include/gromacs/topology/exclusionblocks.h [new file with mode: 0644]
src/include/gromacs/topology/forcefieldparameters.h [new file with mode: 0644]
src/include/gromacs/topology/idef.h [new file with mode: 0644]
src/include/gromacs/topology/ifunc.h [new file with mode: 0644]
src/include/gromacs/topology/index.h [new file with mode: 0644]
src/include/gromacs/topology/invblock.h [new file with mode: 0644]
src/include/gromacs/topology/mtop_lookup.h [new file with mode: 0644]
src/include/gromacs/topology/mtop_util.h [new file with mode: 0644]
src/include/gromacs/topology/residuetypes.h [new file with mode: 0644]
src/include/gromacs/topology/symtab.h [new file with mode: 0644]
src/include/gromacs/topology/topology.h [new file with mode: 0644]
src/include/gromacs/topology/topsort.h [new file with mode: 0644]
src/include/gromacs/trajectory/energyframe.h [new file with mode: 0644]
src/include/gromacs/trajectory/trajectoryframe.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/analysismodule.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/analysissettings.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/analysissettings_impl.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/cmdlinerunner.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/angle.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/convert_trj.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/distance.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/extract_cluster.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/freevolume.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/msd.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/pairdist.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/rdf.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/sasa.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/select.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/surfacearea.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/trajectory.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/modules/unionfind.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/runnercommon.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/tests/lysozyme.top [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/tests/moduletest.h [new file with mode: 0644]
src/include/gromacs/trajectoryanalysis/topologyinformation.h [new file with mode: 0644]
src/include/gromacs/utility/alignedallocator.h [new file with mode: 0644]
src/include/gromacs/utility/allocator.h [new file with mode: 0644]
src/include/gromacs/utility/any.h [new file with mode: 0644]
src/include/gromacs/utility/arraysize.h [new file with mode: 0644]
src/include/gromacs/utility/basenetwork.h [new file with mode: 0644]
src/include/gromacs/utility/baseversion-gen.cpp.cmakein [new file with mode: 0644]
src/include/gromacs/utility/baseversion.h [new file with mode: 0644]
src/include/gromacs/utility/baseversion_gen.h [new file with mode: 0644]
src/include/gromacs/utility/binaryinformation.h [new file with mode: 0644]
src/include/gromacs/utility/bitmask.h [new file with mode: 0644]
src/include/gromacs/utility/classhelpers.h [new file with mode: 0644]
src/include/gromacs/utility/compare.h [new file with mode: 0644]
src/include/gromacs/utility/coolstuff.h [new file with mode: 0644]
src/include/gromacs/utility/cstringutil.h [new file with mode: 0644]
src/include/gromacs/utility/cuda_version_information.h [new file with mode: 0644]
src/include/gromacs/utility/datafilefinder.h [new file with mode: 0644]
src/include/gromacs/utility/defaultinitializationallocator.h [new file with mode: 0644]
src/include/gromacs/utility/dir_separator.h [new file with mode: 0644]
src/include/gromacs/utility/directoryenumerator.h [new file with mode: 0644]
src/include/gromacs/utility/enumerationhelpers.h [new file with mode: 0644]
src/include/gromacs/utility/errorcodes.h [new file with mode: 0644]
src/include/gromacs/utility/errorformat.h [new file with mode: 0644]
src/include/gromacs/utility/fatalerror.h [new file with mode: 0644]
src/include/gromacs/utility/fileptr.h [new file with mode: 0644]
src/include/gromacs/utility/fileredirector.h [new file with mode: 0644]
src/include/gromacs/utility/filestream.h [new file with mode: 0644]
src/include/gromacs/utility/fixedcapacityvector.h [new file with mode: 0644]
src/include/gromacs/utility/flags.h [new file with mode: 0644]
src/include/gromacs/utility/futil.h [new file with mode: 0644]
src/include/gromacs/utility/gmxmpi.h [new file with mode: 0644]
src/include/gromacs/utility/gmxomp.h [new file with mode: 0644]
src/include/gromacs/utility/ikeyvaluetreeerror.h [new file with mode: 0644]
src/include/gromacs/utility/init.h [new file with mode: 0644]
src/include/gromacs/utility/inmemoryserializer.h [new file with mode: 0644]
src/include/gromacs/utility/int64_to_int.h [new file with mode: 0644]
src/include/gromacs/utility/iserializer.h [new file with mode: 0644]
src/include/gromacs/utility/keyvaluetree.h [new file with mode: 0644]
src/include/gromacs/utility/keyvaluetreebuilder.h [new file with mode: 0644]
src/include/gromacs/utility/keyvaluetreemdpwriter.h [new file with mode: 0644]
src/include/gromacs/utility/keyvaluetreeserializer.h [new file with mode: 0644]
src/include/gromacs/utility/keyvaluetreetransform.h [new file with mode: 0644]
src/include/gromacs/utility/logger.h [new file with mode: 0644]
src/include/gromacs/utility/loggerbuilder.h [new file with mode: 0644]
src/include/gromacs/utility/mdmodulesnotifier.h [new file with mode: 0644]
src/include/gromacs/utility/mdmodulesnotifiers.h [new file with mode: 0644]
src/include/gromacs/utility/message_string_collector.h [new file with mode: 0644]
src/include/gromacs/utility/mpiinfo.h [new file with mode: 0644]
src/include/gromacs/utility/niceheader.h [new file with mode: 0644]
src/include/gromacs/utility/nodelete.h [new file with mode: 0644]
src/include/gromacs/utility/path.h [new file with mode: 0644]
src/include/gromacs/utility/physicalnodecommunicator.h [new file with mode: 0644]
src/include/gromacs/utility/pleasecite.h [new file with mode: 0644]
src/include/gromacs/utility/programcontext.h [new file with mode: 0644]
src/include/gromacs/utility/range.h [new file with mode: 0644]
src/include/gromacs/utility/smalloc.h [new file with mode: 0644]
src/include/gromacs/utility/snprintf.h [new file with mode: 0644]
src/include/gromacs/utility/strconvert.h [new file with mode: 0644]
src/include/gromacs/utility/strdb.h [new file with mode: 0644]
src/include/gromacs/utility/stringcompare.h [new file with mode: 0644]
src/include/gromacs/utility/stringstream.h [new file with mode: 0644]
src/include/gromacs/utility/stringtoenumvalueconverter.h [new file with mode: 0644]
src/include/gromacs/utility/stringutil.h [new file with mode: 0644]
src/include/gromacs/utility/sycl_version_information.h [new file with mode: 0644]
src/include/gromacs/utility/sysinfo.h [new file with mode: 0644]
src/include/gromacs/utility/template_mp.h [new file with mode: 0644]
src/include/gromacs/utility/tests/alignedallocator_impl.h [new file with mode: 0644]
src/include/gromacs/utility/tests/bitmask.h [new file with mode: 0644]
src/include/gromacs/utility/textreader.h [new file with mode: 0644]
src/include/gromacs/utility/textstream.h [new file with mode: 0644]
src/include/gromacs/utility/textwriter.h [new file with mode: 0644]
src/include/gromacs/utility/txtdump.h [new file with mode: 0644]
src/include/gromacs/utility/typetraits.h [new file with mode: 0644]
src/include/gromacs/utility/unique_cptr.h [new file with mode: 0644]