Gromacs
2026.0-dev-20241106-9ba7f4d
Main Page
Modules
Other Docs
Namespaces
Classes
Files
Examples
Namespace List
Namespace Members
All
Classes
Namespaces
Files
Functions
Variables
Typedefs
Enumerations
Enumerator
Friends
Macros
Groups
Pages
Namespace List
Here is a list of all documented namespaces with brief descriptions:
[detail level
1
2
3
]
anonymous_namespace{atoms.cpp}
anonymous_namespace{basicoptions.cpp}
anonymous_namespace{binaryinformation.cpp}
anonymous_namespace{bonded.cpp}
anonymous_namespace{cmdlineprogramcontext.cpp}
anonymous_namespace{compressed_x_output.cpp}
anonymous_namespace{confio.cpp}
anonymous_namespace{device_management_common.cpp}
anonymous_namespace{domain_decomposition.cpp}
anonymous_namespace{edsam.cpp}
anonymous_namespace{evaluate.cpp}
anonymous_namespace{filenm.cpp}
anonymous_namespace{gmx_awh.cpp}
anonymous_namespace{grompp.cpp}
anonymous_namespace{histogram.cpp}
anonymous_namespace{legacymodules.cpp}
anonymous_namespace{lincs.cpp}
anonymous_namespace{listed_forces.cpp}
anonymous_namespace{mdrun_main.cpp}
anonymous_namespace{minimize.cpp}
anonymous_namespace{nbnxm_gpu_buffer_ops_internal_hip.cpp}
anonymous_namespace{nbsearch.cpp}
anonymous_namespace{orires.cpp}
anonymous_namespace{parsetree.cpp}
anonymous_namespace{path.cpp}
anonymous_namespace{pdb2gmx.cpp}
anonymous_namespace{pleasecite.cpp}
anonymous_namespace{pme_gpu_calculate_splines_sycl.h}
anonymous_namespace{position_restraints.cpp}
anonymous_namespace{readir.cpp}
anonymous_namespace{resourcedivision.cpp}
anonymous_namespace{selhelp.cpp}
anonymous_namespace{sm_keywords.cpp}
anonymous_namespace{state.cpp}
anonymous_namespace{sysinfo.cpp}
anonymous_namespace{testasserts_tests.cpp}
anonymous_namespace{threadaffinity.cpp}
anonymous_namespace{tngio.cpp}
anonymous_namespace{trajectory_writing.cpp}
anonymous_namespace{xvgr.cpp}
gmx
Generic GROMACS namespace
analysismodules
anonymous_namespace{angle.cpp}
anonymous_namespace{convert_trj.cpp}
anonymous_namespace{distance.cpp}
anonymous_namespace{dssp.cpp}
anonymous_namespace{extract_cluster.cpp}
anonymous_namespace{freevolume.cpp}
anonymous_namespace{gyrate.cpp}
anonymous_namespace{hbond.cpp}
anonymous_namespace{msd.cpp}
anonymous_namespace{pairdist.cpp}
anonymous_namespace{rdf.cpp}
anonymous_namespace{sasa.cpp}
anonymous_namespace{scattering.cpp}
anonymous_namespace{select.cpp}
anonymous_namespace{trajectory.cpp}
anonymous_namespace{alignedallocator.cpp}
anonymous_namespace{analysismodule.cpp}
anonymous_namespace{awh_history.cpp}
anonymous_namespace{bench_system.cpp}
anonymous_namespace{biasgrid.cpp}
anonymous_namespace{biasparams.cpp}
anonymous_namespace{biassharing.cpp}
anonymous_namespace{biasstate.cpp}
anonymous_namespace{biaswriter.cpp}
anonymous_namespace{boxutilities.cpp}
anonymous_namespace{clfftinitializer.cpp}
anonymous_namespace{cmdlinehelpcontext.cpp}
anonymous_namespace{cmdlinehelpmodule.cpp}
anonymous_namespace{cmdlinehelpwriter.cpp}
anonymous_namespace{cmdlineinit.cpp}
anonymous_namespace{cmdlinemodulemanager.cpp}
anonymous_namespace{cmdlineoptionsmodule.cpp}
anonymous_namespace{cmdlineprogramcontext.cpp}
anonymous_namespace{cmdlinerunner.cpp}
anonymous_namespace{colvars.cpp}
anonymous_namespace{colvarsMDModule.cpp}
anonymous_namespace{colvarsMDModule_stub.cpp}
anonymous_namespace{colvarsoptions.cpp}
anonymous_namespace{com.cpp}
anonymous_namespace{computeglobalselement.cpp}
anonymous_namespace{convert_tpr.cpp}
anonymous_namespace{coolstuff.cpp}
anonymous_namespace{coordstate.cpp}
anonymous_namespace{correlationgrid.cpp}
anonymous_namespace{correlationtensor.cpp}
anonymous_namespace{cpuinfo.cpp}
anonymous_namespace{cubicsplinetable.cpp}
anonymous_namespace{decidegpuusage.cpp}
anonymous_namespace{densityfit.cpp}
anonymous_namespace{densityfitting.cpp}
anonymous_namespace{densityfittingamplitudelookup.cpp}
anonymous_namespace{densityfittingforceprovider.cpp}
anonymous_namespace{densityfittingoptions.cpp}
anonymous_namespace{devicetransfers_ocl.cpp}
anonymous_namespace{dump.cpp}
anonymous_namespace{electricfield.cpp}
anonymous_namespace{energydata.cpp}
anonymous_namespace{errorcodes.cpp}
anonymous_namespace{exceptions.cpp}
anonymous_namespace{exclusionblocks.cpp}
anonymous_namespace{expandedensembleelement.cpp}
anonymous_namespace{filenameoption.cpp}
anonymous_namespace{filenameoptionmanager.cpp}
anonymous_namespace{fileredirector.cpp}
anonymous_namespace{filestream.cpp}
anonymous_namespace{findallgputasks.cpp}
anonymous_namespace{firstorderpressurecoupling.cpp}
anonymous_namespace{freeenergydispatch.cpp}
anonymous_namespace{freeenergyparameters.cpp}
anonymous_namespace{freeenergyperturbationdata.cpp}
anonymous_namespace{futil.cpp}
anonymous_namespace{gausstransform.cpp}
anonymous_namespace{gmx_covar.cpp}
anonymous_namespace{gpu_3dfft_heffte.cpp}
anonymous_namespace{gpu_3dfft_hip_rocfft.cpp}
anonymous_namespace{gpu_3dfft_hip_vkfft.cpp}
anonymous_namespace{gpu_3dfft_ocl_vkfft.cpp}
anonymous_namespace{gpu_3dfft_sycl_rocfft.cpp}
anonymous_namespace{gpu_3dfft_sycl_vkfft.cpp}
anonymous_namespace{grid.cpp}
anonymous_namespace{handlerestart.cpp}
anonymous_namespace{hardwaretopology.cpp}
anonymous_namespace{helpwritercontext.cpp}
anonymous_namespace{histogram.cpp}
anonymous_namespace{histogramsize.cpp}
anonymous_namespace{identifyavx512fmaunits.cpp}
anonymous_namespace{ikeyvaluetreeerror.cpp}
anonymous_namespace{init.cpp}
anonymous_namespace{inmemoryserializer.cpp}
anonymous_namespace{insert_molecules.cpp}
anonymous_namespace{keyvaluetree.cpp}
anonymous_namespace{keyvaluetreeserializer.cpp}
anonymous_namespace{keyvaluetreetransform.cpp}
anonymous_namespace{logger.cpp}
anonymous_namespace{modules.cpp}
anonymous_namespace{mpiinfo.cpp}
anonymous_namespace{mrcdensitymap.cpp}
anonymous_namespace{mrcdensitymapheader.cpp}
anonymous_namespace{mrcserializer.cpp}
anonymous_namespace{mttk.cpp}
anonymous_namespace{multipletimestepping.cpp}
anonymous_namespace{nbnxm_hip_data_mgmt.cpp}
anonymous_namespace{nbsearch.cpp}
anonymous_namespace{neldermead.cpp}
anonymous_namespace{nnpot.cpp}
anonymous_namespace{nonbonded_bench.cpp}
anonymous_namespace{nosehooverchains.cpp}
anonymous_namespace{optionsection.cpp}
anonymous_namespace{optionsvisitor.cpp}
anonymous_namespace{pargs.cpp}
anonymous_namespace{parrinellorahmanbarostat.cpp}
anonymous_namespace{pdb2gmx.cpp}
anonymous_namespace{plumedMDModule.cpp}
anonymous_namespace{plumedMDModule_stub.cpp}
anonymous_namespace{plumedOptions.cpp}
anonymous_namespace{pointstate.cpp}
anonymous_namespace{poscalc.cpp}
anonymous_namespace{programcontext.cpp}
anonymous_namespace{propagator.cpp}
anonymous_namespace{pullelement.cpp}
anonymous_namespace{qmmm.cpp}
anonymous_namespace{qmmmforceprovider.cpp}
anonymous_namespace{qmmmoptions.cpp}
anonymous_namespace{quadraticsplinetable.cpp}
anonymous_namespace{read_params.cpp}
anonymous_namespace{report_methods.cpp}
anonymous_namespace{reportgpuusage.cpp}
anonymous_namespace{rocfft_common_utils.cpp}
anonymous_namespace{rstparser.cpp}
anonymous_namespace{selectioncollection.cpp}
anonymous_namespace{selhelp.cpp}
anonymous_namespace{shellcompletions.cpp}
anonymous_namespace{simd_energy_accumulator.cpp}
anonymous_namespace{simd_kernel.h}
anonymous_namespace{statepropagatordata.cpp}
anonymous_namespace{stringutil.cpp}
anonymous_namespace{taskassignment.cpp}
anonymous_namespace{threaded_force_buffer.cpp}
anonymous_namespace{timeunitmanager.cpp}
anonymous_namespace{topologyinformation.cpp}
anonymous_namespace{tpi.cpp}
anonymous_namespace{transformationcoordinate.cpp}
anonymous_namespace{treesupport.cpp}
anonymous_namespace{velocityscalingtemperaturecoupling.cpp}
compat
Compatibility aliases for standard library features
anonymous_namespace{pointers.cpp}
detail
internal
Internal GROMACS namespace
anonymous_namespace{selection.cpp}
test
Testing utilities namespace
anonymous_namespace{abstractoptionstorage.cpp}
anonymous_namespace{accessor_policy.cpp}
anonymous_namespace{analysisdata.cpp}
anonymous_namespace{angle.cpp}
anonymous_namespace{arraydata.cpp}
anonymous_namespace{arrayref.cpp}
anonymous_namespace{arrayrefwithpadding.cpp}
anonymous_namespace{autocorr.cpp}
anonymous_namespace{average.cpp}
anonymous_namespace{base.cpp}
anonymous_namespace{bonded.cpp}
anonymous_namespace{booltype.cpp}
anonymous_namespace{boxdeformation.cpp}
anonymous_namespace{boxmatrix.cpp}
anonymous_namespace{calc_verletbuf.cpp}
anonymous_namespace{calcvir.cpp}
anonymous_namespace{checkpoint.cpp}
anonymous_namespace{checkpointdata.cpp}
anonymous_namespace{clustsize.cpp}
anonymous_namespace{cmdlinehelpmodule.cpp}
anonymous_namespace{cmdlinehelpwriter.cpp}
anonymous_namespace{cmdlinemodulemanager.cpp}
anonymous_namespace{cmdlinemodulemanagertest.cpp}
anonymous_namespace{cmdlineparser.cpp}
anonymous_namespace{cmdlinerunner.cpp}
anonymous_namespace{cmdlinetest.cpp}
anonymous_namespace{com.cpp}
anonymous_namespace{complex.cpp}
anonymous_namespace{conftest.cpp}
anonymous_namespace{constantacceleration.cpp}
anonymous_namespace{constr.cpp}
anonymous_namespace{convert-tpr-fixture.h}
anonymous_namespace{convert-tpr-with-leaks.cpp}
anonymous_namespace{convert-tpr.cpp}
anonymous_namespace{convert_trj.cpp}
anonymous_namespace{cpuinfo.cpp}
anonymous_namespace{cstringutil.cpp}
anonymous_namespace{defaultinitializationallocator.cpp}
anonymous_namespace{densityfittingforce.cpp}
anonymous_namespace{device_management.cpp}
anonymous_namespace{device_stream_manager.cpp}
anonymous_namespace{distance.cpp}
anonymous_namespace{dofit.cpp}
anonymous_namespace{dssp.cpp}
anonymous_namespace{ebin.cpp}
anonymous_namespace{editconf.cpp}
anonymous_namespace{electricfield.cpp}
anonymous_namespace{enerdata.cpp}
anonymous_namespace{energydrifttracker.cpp}
anonymous_namespace{energyoutput.cpp}
anonymous_namespace{energyterm.cpp}
anonymous_namespace{entropy.cpp}
anonymous_namespace{enumerationhelpers.cpp}
anonymous_namespace{ewaldsurfaceterm.cpp}
anonymous_namespace{exactcontinuation.cpp}
anonymous_namespace{exclusions.cpp}
anonymous_namespace{expanded.cpp}
anonymous_namespace{expandedensemble.cpp}
anonymous_namespace{expfit.cpp}
anonymous_namespace{exponentialdistribution.cpp}
anonymous_namespace{exponentialmovingaverage.cpp}
anonymous_namespace{extensions.cpp}
anonymous_namespace{extents.cpp}
anonymous_namespace{extract_cluster.cpp}
anonymous_namespace{fft.cpp}
anonymous_namespace{fileioxdrserializer.cpp}
anonymous_namespace{filematchers.cpp}
anonymous_namespace{filemd5.cpp}
anonymous_namespace{filenameoption.cpp}
anonymous_namespace{filenameoptionmanager.cpp}
anonymous_namespace{filenm.cpp}
anonymous_namespace{filetypes.cpp}
anonymous_namespace{fixedcapacityvector.cpp}
anonymous_namespace{forcebuffers.cpp}
anonymous_namespace{freeenergy.cpp}
anonymous_namespace{freeenergyparameters.cpp}
anonymous_namespace{freevolume.cpp}
anonymous_namespace{freezegroups.cpp}
anonymous_namespace{functions.cpp}
anonymous_namespace{gammadistribution.cpp}
anonymous_namespace{gausstransform.cpp}
anonymous_namespace{gen_maxwell_velocities.cpp}
anonymous_namespace{genconf.cpp}
anonymous_namespace{genion.cpp}
anonymous_namespace{gmx_chi.cpp}
anonymous_namespace{gmx_mindist.cpp}
anonymous_namespace{gmx_traj.cpp}
anonymous_namespace{gpp_atomtype.cpp}
anonymous_namespace{gpueventsynchronizer.cpp}
anonymous_namespace{grompp_directives.cpp}
anonymous_namespace{haloexchange_mpi.cpp}
anonymous_namespace{hardwaretopology.cpp}
anonymous_namespace{hashedmap.cpp}
anonymous_namespace{helpformat.cpp}
anonymous_namespace{helpmanager.cpp}
anonymous_namespace{helpwritercontext.cpp}
anonymous_namespace{helpwriting.cpp}
anonymous_namespace{histogram.cpp}
anonymous_namespace{idef.cpp}
anonymous_namespace{index.cpp}
anonymous_namespace{indexutil.cpp}
anonymous_namespace{initialconstraints.cpp}
anonymous_namespace{inmemoryserializer.cpp}
anonymous_namespace{insert_molecules.cpp}
anonymous_namespace{interactivetest.cpp}
anonymous_namespace{invertmatrix.cpp}
anonymous_namespace{kernel_test.cpp}
anonymous_namespace{kernelsetup.cpp}
anonymous_namespace{keyvaluetreeserializer.cpp}
anonymous_namespace{keyvaluetreetransform.cpp}
anonymous_namespace{langevin.cpp}
anonymous_namespace{layouts.cpp}
anonymous_namespace{leapfrog.cpp}
anonymous_namespace{legacyenergy.cpp}
anonymous_namespace{lifetime.cpp}
anonymous_namespace{listoflists.cpp}
anonymous_namespace{logger.cpp}
anonymous_namespace{loggertest.cpp}
anonymous_namespace{make_ndx.cpp}
anonymous_namespace{manager.cpp}
anonymous_namespace{manyautocorrelation.cpp}
anonymous_namespace{massrepartitioning.cpp}
anonymous_namespace{matio.cpp}
anonymous_namespace{matrix.cpp}
anonymous_namespace{mdmodulesnotifier.cpp}
anonymous_namespace{mdspan.cpp}
anonymous_namespace{message_string_collector.cpp}
anonymous_namespace{minimize.cpp}
anonymous_namespace{mock_datamodule.cpp}
anonymous_namespace{mockhardwaretopology.cpp}
anonymous_namespace{moduletest.cpp}
anonymous_namespace{mpitest.cpp}
anonymous_namespace{mrcdensitymap.cpp}
anonymous_namespace{mrcdensitymapheader.cpp}
anonymous_namespace{mrcserializer.cpp}
anonymous_namespace{msd.cpp}
anonymous_namespace{mshift.cpp}
anonymous_namespace{mtop.cpp}
anonymous_namespace{multidimarray.cpp}
anonymous_namespace{multiple_time_stepping.cpp}
anonymous_namespace{multipletimestepping.cpp}
anonymous_namespace{naming.cpp}
anonymous_namespace{nb_free_energy.cpp}
anonymous_namespace{neldermead.cpp}
anonymous_namespace{nonbonded_bench.cpp}
anonymous_namespace{normaldistribution.cpp}
anonymous_namespace{normalmodes.cpp}
anonymous_namespace{observablesreducer.cpp}
anonymous_namespace{optimization.cpp}
anonymous_namespace{option.cpp}
anonymous_namespace{optionsassigner.cpp}
anonymous_namespace{outputfiles.cpp}
anonymous_namespace{pairdist.cpp}
anonymous_namespace{pairs.cpp}
anonymous_namespace{pargs.cpp}
anonymous_namespace{parrinellorahman.cpp}
anonymous_namespace{path.cpp}
anonymous_namespace{pdb2gmx.cpp}
anonymous_namespace{physicalnodecommunicator.cpp}
anonymous_namespace{physicalnodecommunicator_mpi.cpp}
anonymous_namespace{pmebsplinetest.cpp}
anonymous_namespace{pmegathertest.cpp}
anonymous_namespace{pmesolvetest.cpp}
anonymous_namespace{pmesplinespreadtest.cpp}
anonymous_namespace{pmetest.cpp}
anonymous_namespace{poscalc.cpp}
anonymous_namespace{position_restraints.cpp}
anonymous_namespace{pull.cpp}
anonymous_namespace{pull_rotation.cpp}
anonymous_namespace{range.cpp}
anonymous_namespace{rdf.cpp}
anonymous_namespace{refdata.cpp}
anonymous_namespace{refdata_tests.cpp}
anonymous_namespace{refdata_xml.cpp}
anonymous_namespace{repeatingsection.cpp}
anonymous_namespace{rerun.cpp}
anonymous_namespace{sasa.cpp}
anonymous_namespace{scalar.cpp}
anonymous_namespace{scalar_math.cpp}
anonymous_namespace{scalar_util.cpp}
anonymous_namespace{scattering.cpp}
anonymous_namespace{scope_guard.cpp}
anonymous_namespace{seed.cpp}
anonymous_namespace{select.cpp}
anonymous_namespace{selectioncollection.cpp}
anonymous_namespace{selectionoption.cpp}
anonymous_namespace{settle.cpp}
anonymous_namespace{shake.cpp}
anonymous_namespace{simd_floatingpoint_util.cpp}
anonymous_namespace{simple_mdrun.cpp}
anonymous_namespace{simulationdatabase.cpp}
anonymous_namespace{simulator.cpp}
anonymous_namespace{solvate.cpp}
anonymous_namespace{splinetable.cpp}
anonymous_namespace{strconvert.cpp}
anonymous_namespace{stringtest.cpp}
anonymous_namespace{stringtoenumvalueconverter.cpp}
anonymous_namespace{stringutil.cpp}
anonymous_namespace{surfacearea.cpp}
anonymous_namespace{symtab.cpp}
anonymous_namespace{tabulatednormaldistribution.cpp}
anonymous_namespace{template_mp.cpp}
anonymous_namespace{testasserts.cpp}
anonymous_namespace{testinit.cpp}
anonymous_namespace{testoptions.cpp}
anonymous_namespace{testsystem.cpp}
anonymous_namespace{textblockmatchers.cpp}
anonymous_namespace{textreader.cpp}
anonymous_namespace{textwriter.cpp}
anonymous_namespace{threadaffinity.cpp}
anonymous_namespace{threadaffinity_mpi.cpp}
anonymous_namespace{threefry.cpp}
anonymous_namespace{timeunitmanager.cpp}
anonymous_namespace{timing.cpp}
anonymous_namespace{tngio.cpp}
anonymous_namespace{topologyinformation.cpp}
anonymous_namespace{topsort.cpp}
anonymous_namespace{tpitest.cpp}
anonymous_namespace{trajectory.cpp}
anonymous_namespace{treesupport.cpp}
anonymous_namespace{trjconv.cpp}
anonymous_namespace{uniformintdistribution.cpp}
anonymous_namespace{uniformrealdistribution.cpp}
anonymous_namespace{unionfind.cpp}
anonymous_namespace{updategroups.cpp}
anonymous_namespace{updategroupscog.cpp}
anonymous_namespace{usergpuids.cpp}
anonymous_namespace{vectypes.cpp}
anonymous_namespace{virtualsites.cpp}
anonymous_namespace{wholemoleculetransform.cpp}
anonymous_namespace{xvgio.cpp}
anonymous_namespace{xvgtest.cpp}
anonymous_namespace{xvgtest_tests.cpp}
testing
anonymous_namespace{exclusionblocks.cpp}
Generated on Sat Nov 9 2024 00:17:06 for Gromacs by
1.8.5