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Functions5,508 in github.com/OpenChemistry/avogadrolibs

⨍ Functions 5,508◇ Types & classes 1,034
↓ 1 callersMethodisColorIndex
avogadro/qtplugins/propertytables/propertymodel.cpp:973
↓ 1 callersFunctionisEmpty
* Construct a widget that dynamically generates a GUI */
avogadro/qtgui/jsonwidget.h:47
↓ 1 callersMethodisEnabled
avogadro/qtgui/sceneplugin.cpp:23
↓ 1 callersMethodisHOMOFirst
avogadro/qtplugins/surfaces/orbitaltablemodel.h:42
↓ 1 callersMethodisInteractive
avogadro/qtgui/rwmolecule.h:972
↓ 1 callersFunctionisPdbFile
utilities/benchmarks/uffbenchmark.cpp:146
↓ 1 callersMethodisValid
avogadro/qtplugins/scriptfileformats/fileformatscript.h:148
↓ 1 callersFunctionis_polymer
avogadro/io/mmtfformat.cpp:36
↓ 1 callersMethodisotope
avogadro/core/atom.h:359
↓ 1 callersFunctionjobCompleted
* @return True if the job has finished running. */
avogadro/molequeue/molequeuewidget.h:71
↓ 1 callersMethodlabelIndex
avogadro/quantumio/gamessukout.cpp:112
↓ 1 callersMethodlaplacianOfElectronDensity
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:574
↓ 1 callersMethodlayerCount
avogadro/qtgui/pluginlayermanager.cpp:141
↓ 1 callersMethodlineEdit
avogadro/qtgui/filebrowsewidget.cpp:62
↓ 1 callersMethodlistFiles
avogadro/qtplugins/packageinstaller/zipextractor.cpp:46
↓ 1 callersMethodload
avogadro/rendering/ambientocclusionspheregeometry.cpp:814
↓ 1 callersMethodloadCubeFile
avogadro/qtplugins/apbs/apbsoutputdialog.cpp:25
↓ 1 callersMethodloadMolecule
avogadro/qtplugins/importpqr/pqrwidget.cpp:89
↓ 1 callersMethodloadOnlineCatalog
avogadro/qtplugins/packageinstaller/packagemodel.cpp:192
↓ 1 callersMethodloadPNG
* @brief Called when PNG data is ready to be loaded */
avogadro/qtplugins/importpqr/pqrwidget.cpp:66
↓ 1 callersMethodloadStructureFile
avogadro/qtplugins/apbs/apbsoutputdialog.cpp:20
↓ 1 callersMethodlocateElectronDensitySources
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:560
↓ 1 callersMethodlookupJob
avogadro/molequeue/batchjob.cpp:93
↓ 1 callersFunctionlookupTextureUnit
avogadro/rendering/shaderprogram.cpp:42
↓ 1 callersFunctionlookupValency
avogadro/qtgui/hydrogentools.cpp:45
↓ 1 callersFunctionls0
avogadro/qtplugins/qtaim/qtaimcubature.cpp:369
↓ 1 callersFunctionmain
()
scripts/github-actions/filter_sarif.py:120
↓ 1 callersMethodmainFileName
avogadro/qtgui/interfacescript.cpp:522
↓ 1 callersFunctionmake_hypercube_range
avogadro/qtplugins/qtaim/qtaimcubature.cpp:216
↓ 1 callersFunctionmake_region
avogadro/qtplugins/qtaim/qtaimcubature.cpp:246
↓ 1 callersFunctionmake_rule15gauss
avogadro/qtplugins/qtaim/qtaimcubature.cpp:831
↓ 1 callersFunctionmake_rule75genzmalik
avogadro/qtplugins/qtaim/qtaimcubature.cpp:654
↓ 1 callersMethodmass
avogadro/core/molecule.cpp:1018
↓ 1 callersFunctionmatch_path_and_rule
(path, rule, patterns)
scripts/github-actions/filter_sarif.py:12
↓ 1 callersMethodmax2Theta
avogadro/qtplugins/plotxrd/xrdoptionsdialog.cpp:47
↓ 1 callersMethodmaxRadius
avogadro/qtplugins/plotpdf/pdfoptionsdialog.cpp:28
↓ 1 callersMethodmax_size
avogadro/core/array.h:164
↓ 1 callersMethodmimeTypes
avogadro/qtplugins/openbabel/obfileformat.h:54
↓ 1 callersMethodmimeTypes
tests/io/fileformatmanagertest.cpp:204
↓ 1 callersMethodmolecularOrbitalCoefficients
avogadro/qtplugins/qtaim/qtaimwavefunction.h:233
↓ 1 callersMethodmolecularOrbitalEigenvalues
avogadro/qtplugins/qtaim/qtaimwavefunction.h:224
↓ 1 callersMethodmolecularOrbitalOccupationNumbers
avogadro/qtplugins/qtaim/qtaimwavefunction.h:215
↓ 1 callersFunctionmolecule
* Get the molecule this basis set belongs to. */
avogadro/core/basisset.h:80
↓ 1 callersFunctionnewInstance
tests/qtopengl/qttextrenderstrategytest.cpp:35
↓ 1 callersMethodnewInstance
avogadro/qtplugins/openbabel/obfileformat.cpp:303
↓ 1 callersMethodnewVolume
avogadro/qtplugins/crystal/volumescalingdialog.cpp:32
↓ 1 callersMethodniggliReduceCell
avogadro/qtgui/rwmolecule.cpp:605
↓ 1 callersMethodnormal
avogadro/core/mesh.cpp:100
↓ 1 callersMethodnuclearCharges
avogadro/qtplugins/qtaim/qtaimwavefunction.h:149
↓ 1 callersMethodnumDataPoints
avogadro/qtplugins/plotxrd/xrdoptionsdialog.cpp:42
↓ 1 callersMethodnumberOfGaussianPrimitives
avogadro/qtplugins/qtaim/qtaimwavefunction.h:118
↓ 1 callersMethodnumberOfMolecularOrbitals
avogadro/qtplugins/qtaim/qtaimwavefunction.h:114
↓ 1 callersMethodoopEnergies
avogadro/calc/uff.cpp:1021
↓ 1 callersFunctionoperationSymbol
avogadro/qtplugins/symmetry/symmetryutil.cpp:45
↓ 1 callersMethodoptimizeGeometry
avogadro/qtplugins/openbabel/obprocess.cpp:404
↓ 1 callersFunctionoptimizeLbfgs
avogadro/calc/energyoptimizer.cpp:33
↓ 1 callersMethodoptions
avogadro/molequeue/inputgenerator.cpp:50
↓ 1 callersMethodoutputBasis
avogadro/quantumio/gamessukout.cpp:81
↓ 1 callersMethodoutputCoord
avogadro/quantumio/gamessukout.cpp:72
↓ 1 callersMethodpackageFeatureTypes
avogadro/qtgui/packagemanager.cpp:647
↓ 1 callersFunctionparseArgs
utilities/benchmarks/uffbenchmark.cpp:90
↓ 1 callersFunctionparse_pattern
(line)
scripts/github-actions/filter_sarif.py:20
↓ 1 callersFunctionpartialCharge
avogadro/qtplugins/propertytables/propertymodel.cpp:219
↓ 1 callersFunctionpartialCharge
avogadro/qtplugins/label/label.cpp:333
↓ 1 callersMethodpeakWidth
avogadro/qtplugins/plotxrd/xrdoptionsdialog.cpp:37
↓ 1 callersMethodperceiveBondsFromResidueData
avogadro/core/molecule.cpp:1350
↓ 1 callersFunctionperceiveRings
avogadro/core/ringperceiver.cpp:356
↓ 1 callersMethodpotentials
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:302
↓ 1 callersMethodpqrFileName
avogadro/qtplugins/apbs/apbsdialog.cpp:63
↓ 1 callersMethodpreRotate
avogadro/rendering/camera.cpp:59
↓ 1 callersFunctionprintHelp
avogadro/command/avobabel.cpp:90
↓ 1 callersFunctionprintHelp
avogadro/command/qube.cpp:156
↓ 1 callersFunctionprintResults
utilities/benchmarks/uffbenchmark.cpp:324
↓ 1 callersFunctionprintUsage
utilities/benchmarks/uffbenchmark.cpp:63
↓ 1 callersMethodprocess
avogadro/qtgui/sceneplugin.cpp:14
↓ 1 callersMethodprocessCommand
avogadro/qtgui/interfacescript.cpp:215
↓ 1 callersMethodprogramSelected
avogadro/molequeue/molequeuewidget.cpp:296
↓ 1 callersMethodprograms
avogadro/molequeue/molequeuequeuelistmodel.cpp:73
↓ 1 callersMethodqueryCharges
avogadro/qtplugins/openbabel/obprocess.cpp:299
↓ 1 callersMethodqueryForceFields
avogadro/qtplugins/openbabel/obprocess.cpp:259
↓ 1 callersMethodqueryReadFormats
avogadro/qtplugins/openbabel/obprocess.cpp:105
↓ 1 callersMethodqueryWriteFormats
avogadro/qtplugins/openbabel/obprocess.cpp:122
↓ 1 callersMethodqueue
avogadro/molequeue/client/jobobject.cpp:32
↓ 1 callersFunctionreadFloat64LE
avogadro/qtplugins/forcefield/scriptenergy.cpp:61
↓ 1 callersMethodreadMetaData
avogadro/qtplugins/forcefield/scriptenergy.cpp:115
↓ 1 callersMethodreadMetaData
avogadro/qtplugins/scriptcharges/scriptchargemodel.cpp:117
↓ 1 callersMethodreadMetaData
avogadro/qtplugins/scriptfileformats/fileformatscript.cpp:45
↓ 1 callersFunctionreadMoleculeFromPath
utilities/benchmarks/uffbenchmark.cpp:178
↓ 1 callersMethodreadProperties
avogadro/core/molecule.cpp:80
↓ 1 callersFunctionreadSetupCommand
Read the *-setup script name from [project.scripts], if any.
avogadro/qtgui/packagemanager.cpp:310
↓ 1 callersFunctionread_coordinates
Read coordinates from stream (single-frame or batched). Args: stream: binary input stream expected_atom_count: expected number o
python/avogadro/energy.py:354
↓ 1 callersFunctionread_frame
Read one binary-v1 frame. Returns: Frame or None on clean EOF.
python/avogadro/energy.py:159
↓ 1 callersMethodreduceCellToAsymmetricUnit
avogadro/qtgui/rwmolecule.cpp:792
↓ 1 callersMethodreduceCellToPrimitive
avogadro/qtgui/rwmolecule.cpp:651
↓ 1 callersMethodreenableCalculateButton
avogadro/qtplugins/surfaces/surfacedialog.cpp:318
↓ 1 callersMethodregisterModel
avogadro/calc/chargemanager.cpp:32
↓ 1 callersMethodreject
avogadro/qtplugins/configurepython/configurepythondialog.cpp:270
↓ 1 callersMethodremoveDataset
avogadro/io/hdf5dataformat.cpp:270
↓ 1 callersMethodremoveFormat
avogadro/io/fileformatmanager.cpp:183
↓ 1 callersMethodremoveItem
avogadro/qtgui/layermodel.cpp:259
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