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github.com/OpenChemistry/avogadrolibs
/ functions
Functions
5,508 in github.com/OpenChemistry/avogadrolibs
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Functions
5,508
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Types & classes
1,034
↓ 4 callers
Method
update
avogadro/rendering/meshgeometry.cpp:81
↓ 4 callers
Function
vectorAngleDegrees
Returns unsigned, smallest angle between v1 and v2
avogadro/qtplugins/bondcentrictool/bondcentrictool.cpp:90
↓ 4 callers
Function
version
avogadro/core/version.cpp:10
↓ 4 callers
Method
vibrationLx
avogadro/core/molecule.cpp:1133
↓ 4 callers
Method
writeMolecule
avogadro/io/fileformat.cpp:114
↓ 3 callers
Function
AddTerminus
avogadro/qtplugins/insertpeptide/insertpeptide.cpp:272
↓ 3 callers
Function
Bond
avogadro/core/molecule.h:1028
↓ 3 callers
Function
a
The length of the lattice vector in the unit cell. Units: Angstrom @{ */
avogadro/core/unitcell.h:44
↓ 3 callers
Method
accept
avogadro/qtplugins/lineformatinput/lineformatinputdialog.cpp:64
↓ 3 callers
Function
adapt_integrate_v
avogadro/qtplugins/qtaim/qtaimcubature.cpp:1127
↓ 3 callers
Function
addBackBone
avogadro/qtplugins/cartoons/cartoons.cpp:176
↓ 3 callers
Method
addConstraint
avogadro/core/molecule.cpp:367
↓ 3 callers
Method
addPoint
avogadro/rendering/curvegeometry.cpp:274
↓ 3 callers
Function
appendFloatText
avogadro/qtplugins/forcefield/scriptenergy.cpp:73
↓ 3 callers
Method
asyncWriteAndResponseRaw
avogadro/qtgui/pythonscript.cpp:383
↓ 3 callers
Method
atomSelected
avogadro/core/molecule.h:1248
↓ 3 callers
Method
bestFitPlane
avogadro/core/molecule.cpp:1073
↓ 3 callers
Function
bondAngle
* 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 callers
Method
bondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:44
↓ 3 callers
Method
bondPaths
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:57
↓ 3 callers
Method
bondedAtoms
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:58
↓ 3 callers
Method
boundingRect
avogadro/qtgui/elementitem_p.cpp:43
↓ 3 callers
Method
calculateElectronDensity
avogadro/qtgui/slatersetconcurrent.cpp:59
↓ 3 callers
Method
calculateSpinDensity
avogadro/qtgui/slatersetconcurrent.cpp:64
↓ 3 callers
Method
cancel
avogadro/qtgui/calcworker.cpp:100
↓ 3 callers
Method
center
avogadro/rendering/scene.cpp:22
↓ 3 callers
Method
chartWidget
avogadro/qtplugins/spectra/spectradialog.cpp:1048
↓ 3 callers
Method
clearCubes
avogadro/core/molecule.cpp:922
↓ 3 callers
Method
collectOptions
avogadro/qtgui/jsonwidget.cpp:906
↓ 3 callers
Method
containsEdge
avogadro/core/graph.cpp:479
↓ 3 callers
Function
createLabel
avogadro/qtplugins/label/label.cpp:48
↓ 3 callers
Method
data
avogadro/qtplugins/constraints/constraintsmodel.cpp:42
↓ 3 callers
Method
data
avogadro/qtplugins/symmetry/operationstablemodel.cpp:70
↓ 3 callers
Method
datasetExists
avogadro/io/hdf5dataformat.cpp:233
↓ 3 callers
Method
datasets
avogadro/io/hdf5dataformat.cpp:495
↓ 3 callers
Method
deref
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 callers
Method
destroy
avogadro/rendering/ambientocclusionspheregeometry.cpp:549
↓ 3 callers
Method
displayName
avogadro/qtgui/interfacescript.cpp:118
↓ 3 callers
Method
ellipticityAtBondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:52
↓ 3 callers
Method
enableRecord
avogadro/qtplugins/surfaces/surfacedialog.cpp:330
↓ 3 callers
Function
encodeCustomElement
avogadro/core/elements.cpp:32
↓ 3 callers
Method
end
avogadro/core/variantmap.cpp:63
↓ 3 callers
Function
endsWith
* @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 callers
Function
eval_regions
note: all regions must have same fdim */
avogadro/qtplugins/qtaim/qtaimcubature.cpp:348
↓ 3 callers
Method
evaluate
avogadro/qtplugins/forcefield/obenergy.cpp:219
↓ 3 callers
Method
fileContents
avogadro/molequeue/inputgenerator.cpp:338
↓ 3 callers
Function
fileName
* @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 callers
Method
fill
avogadro/core/cube.cpp:424
↓ 3 callers
Function
fillSphereFunction
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 callers
Function
findEnergy
avogadro/io/xyzformat.cpp:40
↓ 3 callers
Function
findExecutablePaths
avogadro/qtgui/utilities.cpp:57
↓ 3 callers
Method
flush
avogadro/molequeue/client/client.cpp:184
↓ 3 callers
Method
formalCharge
avogadro/qtgui/rwmolecule.h:834
↓ 3 callers
Method
format
avogadro/qtplugins/lineformatinput/lineformatinputdialog.cpp:42
↓ 3 callers
Method
formattedFormula
avogadro/qtgui/molecule.cpp:329
↓ 3 callers
Method
frozenAtomAxis
avogadro/core/molecule.cpp:421
↓ 3 callers
Function
fuzzyLessThanEq
avogadro/core/crystaltools.cpp:170
↓ 3 callers
Function
fuzzyNotEqual
avogadro/core/crystaltools.cpp:164
↓ 3 callers
Method
generateDensityMatrix
avogadro/core/gaussianset.cpp:511
↓ 3 callers
Method
generateInput
avogadro/qtgui/interfacescript.cpp:357
↓ 3 callers
Method
getAngle
avogadro/qtplugins/propertytables/propertymodel.cpp:1279
↓ 3 callers
Method
getConnectedID
avogadro/core/graph.cpp:610
↓ 3 callers
Method
getLayerID
avogadro/core/layer.cpp:61
↓ 3 callers
Method
getTorsion
avogadro/qtplugins/propertytables/propertymodel.cpp:1302
↓ 3 callers
Method
gradient
avogadro/calc/uff.cpp:1217
↓ 3 callers
Method
gradientOfElectronDensity
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:158
↓ 3 callers
Function
heap_resize
avogadro/qtplugins/qtaim/qtaimcubature.cpp:855
↓ 3 callers
Method
hybridization
avogadro/qtgui/rwmolecule.h:829
↓ 3 callers
Method
installPackages
avogadro/qtgui/packagemanager.cpp:377
↓ 3 callers
Method
isActiveLayerEnabled
avogadro/qtgui/sceneplugin.cpp:28
↓ 3 callers
Function
isDarkMode
Detect dark mode: text lighter than window background
avogadro/qtplugins/spectra/spectradialog.cpp:31
↓ 3 callers
Function
is_batch_mode
Check if FLAG_BATCH_MODE is set in the request flags.
python/avogadro/energy.py:228
↓ 3 callers
Method
label
avogadro/core/atom.h:421
↓ 3 callers
Method
laplacianAtBondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:48
↓ 3 callers
Method
locateBondCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:431
↓ 3 callers
Function
makeOrbitalDescription
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 callers
Function
make_hypercube
avogadro/qtplugins/qtaim/qtaimcubature.cpp:198
↓ 3 callers
Function
moMatrix
avogadro/core/gaussianset.h:239
↓ 3 callers
Method
name
avogadro/qtplugins/ply/ply.h:25
↓ 3 callers
Method
newInstance
tests/calc/energycalculatortest.cpp:32
↓ 3 callers
Method
nuclearChargesList
avogadro/qtplugins/qtaim/qtaimwavefunction.h:151
↓ 3 callers
Method
numberOfInputFiles
avogadro/qtgui/interfacescript.cpp:512
↓ 3 callers
Function
optimizeSteps
avogadro/calc/energyoptimizer.cpp:59
↓ 3 callers
Method
options
avogadro/qtgui/interfacescript.cpp:69
↓ 3 callers
Function
parseTomlString
avogadro/qtgui/tomlparse.cpp:85
↓ 3 callers
Method
program
avogadro/molequeue/client/jobobject.cpp:42
↓ 3 callers
Method
read
avogadro/io/trrformat.cpp:76
↓ 3 callers
Method
readDataset
avogadro/io/hdf5dataformat.cpp:475
↓ 3 callers
Function
readTransformCoordinate
avogadro/core/spacegroups.cpp:169
↓ 3 callers
Method
registeredPackages
avogadro/qtgui/packagemanager.cpp:638
↓ 3 callers
Method
removeChild
avogadro/rendering/groupnode.cpp:53
↓ 3 callers
Method
removeDrawable
avogadro/rendering/geometrynode.cpp:42
↓ 3 callers
Method
removeEdge
avogadro/core/graph.cpp:285
↓ 3 callers
Method
removeEdges
avogadro/core/graph.cpp:348
↓ 3 callers
Method
requestQueueList
avogadro/molequeue/client/client.cpp:44
↓ 3 callers
Method
requestUpdate
avogadro/qtopengl/glwidget.cpp:209
↓ 3 callers
Method
resolveResidueBonds
avogadro/core/residue.cpp:99
↓ 3 callers
Method
rowCount
avogadro/qtplugins/molecularproperties/molecularmodel.cpp:67
↓ 3 callers
Method
setAcceptsIons
tests/calc/energycalculatortest.cpp:65
↓ 3 callers
Method
setAcceptsRadicals
tests/calc/energycalculatortest.cpp:66
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