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Functions5,508 in github.com/OpenChemistry/avogadrolibs

↓ 4 callersMethodupdate
avogadro/rendering/meshgeometry.cpp:81
↓ 4 callersFunctionvectorAngleDegrees
Returns unsigned, smallest angle between v1 and v2
avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp:90
↓ 4 callersFunctionversion
avogadro/core/version.cpp:10
↓ 4 callersMethodvibrationLx
avogadro/core/molecule.cpp:1133
↓ 4 callersMethodwriteMolecule
avogadro/io/fileformat.cpp:114
↓ 3 callersFunctionAddTerminus
avogadro/qtplugins/insertpeptide/insertpeptide.cpp:272
↓ 3 callersFunctionBond
avogadro/core/molecule.h:1028
↓ 3 callersFunctiona
The length of the lattice vector in the unit cell. Units: Angstrom @{ */
avogadro/core/unitcell.h:44
↓ 3 callersMethodaccept
avogadro/qtplugins/lineformatinput/lineformatinputdialog.cpp:64
↓ 3 callersFunctionadapt_integrate_v
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1127
↓ 3 callersFunctionaddBackBone
avogadro/qtplugins/cartoons/cartoons.cpp:176
↓ 3 callersMethodaddConstraint
avogadro/core/molecule.cpp:367
↓ 3 callersMethodaddPoint
avogadro/rendering/curvegeometry.cpp:274
↓ 3 callersFunctionappendFloatText
avogadro/qtplugins/forcefield/scriptenergy.cpp:73
↓ 3 callersMethodasyncWriteAndResponseRaw
avogadro/qtgui/pythonscript.cpp:383
↓ 3 callersMethodatomSelected
avogadro/core/molecule.h:1248
↓ 3 callersMethodbestFitPlane
avogadro/core/molecule.cpp:1073
↓ 3 callersFunctionbondAngle
* Calculate the bond angle between two bond vectors. * @param b0 The first bond vector (a-b) * @param b1 The second bond vector (b-c) * @return The
avogadro/core/angletools.h:22
↓ 3 callersMethodbondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:44
↓ 3 callersMethodbondPaths
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:57
↓ 3 callersMethodbondedAtoms
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:58
↓ 3 callersMethodboundingRect
avogadro/qtgui/elementitem_p.cpp:43
↓ 3 callersMethodcalculateElectronDensity
avogadro/qtgui/slatersetconcurrent.cpp:59
↓ 3 callersMethodcalculateSpinDensity
avogadro/qtgui/slatersetconcurrent.cpp:64
↓ 3 callersMethodcancel
avogadro/qtgui/calcworker.cpp:100
↓ 3 callersMethodcenter
avogadro/rendering/scene.cpp:22
↓ 3 callersMethodchartWidget
avogadro/qtplugins/spectra/spectradialog.cpp:1048
↓ 3 callersMethodclearCubes
avogadro/core/molecule.cpp:922
↓ 3 callersMethodcollectOptions
avogadro/qtgui/jsonwidget.cpp:906
↓ 3 callersMethodcontainsEdge
avogadro/core/graph.cpp:479
↓ 3 callersFunctioncreateLabel
avogadro/qtplugins/label/label.cpp:48
↓ 3 callersMethoddata
avogadro/qtplugins/constraints/constraintsmodel.cpp:42
↓ 3 callersMethoddata
avogadro/qtplugins/symmetry/operationstablemodel.cpp:70
↓ 3 callersMethoddatasetExists
avogadro/io/hdf5dataformat.cpp:233
↓ 3 callersMethoddatasets
avogadro/io/hdf5dataformat.cpp:495
↓ 3 callersMethodderef
Decrement the reference count, return true unless the reference count has dropped to zero. When it returns false, this object should be deleted.
avogadro/core/array.h:64
↓ 3 callersMethoddestroy
avogadro/rendering/ambientocclusionspheregeometry.cpp:549
↓ 3 callersMethoddisplayName
avogadro/qtgui/interfacescript.cpp:118
↓ 3 callersMethodellipticityAtBondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:52
↓ 3 callersMethodenableRecord
avogadro/qtplugins/surfaces/surfacedialog.cpp:330
↓ 3 callersFunctionencodeCustomElement
avogadro/core/elements.cpp:32
↓ 3 callersMethodend
avogadro/core/variantmap.cpp:63
↓ 3 callersFunctionendsWith
* @brief Efficient method to confirm input ends with the ending string. * @param input String to be examined. * @param ending String that will be se
avogadro/core/utilities.h:78
↓ 3 callersFunctioneval_regions
note: all regions must have same fdim */
avogadro/qtplugins/qtaim/qtaimcubature.cpp:348
↓ 3 callersMethodevaluate
avogadro/qtplugins/forcefield/obenergy.cpp:219
↓ 3 callersMethodfileContents
avogadro/molequeue/inputgenerator.cpp:338
↓ 3 callersFunctionfileName
* @brief Get the file name (if known). * @return The full path to the file name as supplied, can be empty. */
avogadro/io/fileformat.h:183
↓ 3 callersMethodfill
avogadro/core/cube.cpp:424
↓ 3 callersFunctionfillSphereFunction
Create a cube filled with distance-from-origin values Isosurface at value=r gives a sphere of radius r
tests/qtgui/meshgeneratortest.cpp:25
↓ 3 callersFunctionfindEnergy
avogadro/io/xyzformat.cpp:40
↓ 3 callersFunctionfindExecutablePaths
avogadro/qtgui/utilities.cpp:57
↓ 3 callersMethodflush
avogadro/molequeue/client/client.cpp:184
↓ 3 callersMethodformalCharge
avogadro/qtgui/rwmolecule.h:834
↓ 3 callersMethodformat
avogadro/qtplugins/lineformatinput/lineformatinputdialog.cpp:42
↓ 3 callersMethodformattedFormula
avogadro/qtgui/molecule.cpp:329
↓ 3 callersMethodfrozenAtomAxis
avogadro/core/molecule.cpp:421
↓ 3 callersFunctionfuzzyLessThanEq
avogadro/core/crystaltools.cpp:170
↓ 3 callersFunctionfuzzyNotEqual
avogadro/core/crystaltools.cpp:164
↓ 3 callersMethodgenerateDensityMatrix
avogadro/core/gaussianset.cpp:511
↓ 3 callersMethodgenerateInput
avogadro/qtgui/interfacescript.cpp:357
↓ 3 callersMethodgetAngle
avogadro/qtplugins/propertytables/propertymodel.cpp:1279
↓ 3 callersMethodgetConnectedID
avogadro/core/graph.cpp:610
↓ 3 callersMethodgetLayerID
avogadro/core/layer.cpp:61
↓ 3 callersMethodgetTorsion
avogadro/qtplugins/propertytables/propertymodel.cpp:1302
↓ 3 callersMethodgradient
avogadro/calc/uff.cpp:1217
↓ 3 callersMethodgradientOfElectronDensity
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:158
↓ 3 callersFunctionheap_resize
avogadro/qtplugins/qtaim/qtaimcubature.cpp:855
↓ 3 callersMethodhybridization
avogadro/qtgui/rwmolecule.h:829
↓ 3 callersMethodinstallPackages
avogadro/qtgui/packagemanager.cpp:377
↓ 3 callersMethodisActiveLayerEnabled
avogadro/qtgui/sceneplugin.cpp:28
↓ 3 callersFunctionisDarkMode
Detect dark mode: text lighter than window background
avogadro/qtplugins/spectra/spectradialog.cpp:31
↓ 3 callersFunctionis_batch_mode
Check if FLAG_BATCH_MODE is set in the request flags.
python/avogadro/energy.py:228
↓ 3 callersMethodlabel
avogadro/core/atom.h:421
↓ 3 callersMethodlaplacianAtBondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:48
↓ 3 callersMethodlocateBondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:431
↓ 3 callersFunctionmakeOrbitalDescription
Helper to create orbital description string e.g., "HOMO-1" or "alpha-HOMO" prefix is supplied for alpha/beta orbitals as UTF-8 characters
avogadro/qtplugins/surfaces/orbitaltablemodel.cpp:197
↓ 3 callersFunctionmake_hypercube
avogadro/qtplugins/qtaim/qtaimcubature.cpp:198
↓ 3 callersFunctionmoMatrix
avogadro/core/gaussianset.h:239
↓ 3 callersMethodname
avogadro/qtplugins/ply/ply.h:25
↓ 3 callersMethodnewInstance
tests/calc/energycalculatortest.cpp:32
↓ 3 callersMethodnuclearChargesList
avogadro/qtplugins/qtaim/qtaimwavefunction.h:151
↓ 3 callersMethodnumberOfInputFiles
avogadro/qtgui/interfacescript.cpp:512
↓ 3 callersFunctionoptimizeSteps
avogadro/calc/energyoptimizer.cpp:59
↓ 3 callersMethodoptions
avogadro/qtgui/interfacescript.cpp:69
↓ 3 callersFunctionparseTomlString
avogadro/qtgui/tomlparse.cpp:85
↓ 3 callersMethodprogram
avogadro/molequeue/client/jobobject.cpp:42
↓ 3 callersMethodread
avogadro/io/trrformat.cpp:76
↓ 3 callersMethodreadDataset
avogadro/io/hdf5dataformat.cpp:475
↓ 3 callersFunctionreadTransformCoordinate
avogadro/core/spacegroups.cpp:169
↓ 3 callersMethodregisteredPackages
avogadro/qtgui/packagemanager.cpp:638
↓ 3 callersMethodremoveChild
avogadro/rendering/groupnode.cpp:53
↓ 3 callersMethodremoveDrawable
avogadro/rendering/geometrynode.cpp:42
↓ 3 callersMethodremoveEdge
avogadro/core/graph.cpp:285
↓ 3 callersMethodremoveEdges
avogadro/core/graph.cpp:348
↓ 3 callersMethodrequestQueueList
avogadro/molequeue/client/client.cpp:44
↓ 3 callersMethodrequestUpdate
avogadro/qtopengl/glwidget.cpp:209
↓ 3 callersMethodresolveResidueBonds
avogadro/core/residue.cpp:99
↓ 3 callersMethodrowCount
avogadro/qtplugins/molecularproperties/molecularmodel.cpp:67
↓ 3 callersMethodsetAcceptsIons
tests/calc/energycalculatortest.cpp:65
↓ 3 callersMethodsetAcceptsRadicals
tests/calc/energycalculatortest.cpp:66
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