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github.com/OpenChemistry/avogadrolibs
/ functions
Functions
5,508 in github.com/OpenChemistry/avogadrolibs
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Functions
5,508
◇
Types & classes
1,034
↓ 5 callers
Method
setDescription
avogadro/molequeue/client/jobobject.cpp:47
↓ 5 callers
Method
setFrozenAtomAxis
avogadro/core/molecule.cpp:430
↓ 5 callers
Method
setIcon
avogadro/qtplugins/playertool/playertool.cpp:60
↓ 5 callers
Method
setNormals
avogadro/core/mesh.cpp:105
↓ 5 callers
Method
setPackageInfo
avogadro/qtplugins/forcefield/scriptenergy.cpp:108
↓ 5 callers
Method
setProgram
avogadro/molequeue/client/jobobject.cpp:37
↓ 5 callers
Method
setQuad
avogadro/rendering/quad.cpp:12
↓ 5 callers
Method
setRadius
avogadro/qtplugins/symmetry/symmetrywidget.cpp:295
↓ 5 callers
Method
setStable
avogadro/core/mesh.cpp:43
↓ 5 callers
Method
setVertices
avogadro/core/mesh.cpp:75
↓ 5 callers
Method
setVibrationRamanIntensities
avogadro/core/molecule.cpp:1128
↓ 5 callers
Method
setXAxisTitle
avogadro/qtgui/chartwidget.cpp:218
↓ 5 callers
Method
setYAxisTitle
avogadro/qtgui/chartwidget.cpp:224
↓ 5 callers
Function
sphericalToCartesian
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:86
↓ 5 callers
Function
toLower
Helper function to convert a string to lowercase to register all lower-case identifiers
avogadro/calc/chargemanager.cpp:14
↓ 5 callers
Method
toVector3
avogadro/core/variant-inline.h:554
↓ 5 callers
Method
unlock
avogadro/core/mutex.cpp:39
↓ 5 callers
Method
wrapCartesian
avogadro/core/unitcell.h:333
↓ 5 callers
Method
wrapFractional
avogadro/core/unitcell.h:290
↓ 5 callers
Method
write
avogadro/qtgui/backgroundfileformat.cpp:48
↓ 5 callers
Function
writeTextFile
tests/qtgui/packagemanagertest.cpp:30
↓ 4 callers
Method
__json
Send a JSON-RPC request to the named pipe. :param method: The JSON-RPC request method. Send a message to the named pipe
python/avogadro/connect.py:45
↓ 4 callers
Method
__to_cjson
It converts python dictionaries to cjson format
python/avogadro/cjson.py:33
↓ 4 callers
Function
aVector
The lattice vector in the unit cell. Units: Angstrom @{ */
avogadro/core/unitcell.h:35
↓ 4 callers
Method
acceptsIons
tests/calc/energycalculatortest.cpp:55
↓ 4 callers
Method
acceptsRadicals
tests/calc/energycalculatortest.cpp:56
↓ 4 callers
Method
acceptsUnitCell
tests/calc/energycalculatortest.cpp:54
↓ 4 callers
Method
addConstraint
avogadro/qtplugins/constraints/constraintsmodel.cpp:149
↓ 4 callers
Method
addDashedLine
avogadro/rendering/widelinegeometry.cpp:251
↓ 4 callers
Method
addVertices
avogadro/core/mesh.cpp:82
↓ 4 callers
Function
bVector
avogadro/core/unitcell.h:36
↓ 4 callers
Method
beta
avogadro/qtplugins/surfaces/surfacedialog.cpp:277
↓ 4 callers
Method
bondEnabled
avogadro/qtgui/pluginlayermanager.cpp:120
↓ 4 callers
Method
bondPair
avogadro/qtgui/rwmolecule.h:950
↓ 4 callers
Function
buildH2
Build a simple H2 molecule for testing
tests/qtgui/calcworkertest.cpp:41
↓ 4 callers
Function
cVector
avogadro/core/unitcell.h:37
↓ 4 callers
Method
calculateMolecularOrbital
avogadro/qtgui/slatersetconcurrent.cpp:53
↓ 4 callers
Method
calculatePerspective
avogadro/rendering/camera.cpp:133
↓ 4 callers
Method
clearAtoms
avogadro/core/molecule.cpp:701
↓ 4 callers
Method
clearAtoms
avogadro/qtplugins/selectiontool/selectiontool.cpp:300
↓ 4 callers
Method
clearMeshes
avogadro/core/molecule.cpp:892
↓ 4 callers
Method
cube
avogadro/qtplugins/apbs/opendxreader.cpp:88
↓ 4 callers
Method
data
avogadro/qtplugins/packageinstaller/packagemodel.cpp:43
↓ 4 callers
Method
degree
avogadro/core/graph.cpp:474
↓ 4 callers
Method
description
avogadro/molequeue/batchjob.h:277
↓ 4 callers
Method
distanceSquared
avogadro/core/unitcell.h:366
↓ 4 callers
Method
drawable
avogadro/rendering/geometrynode.cpp:56
↓ 4 callers
Function
eigenColToJson
avogadro/io/cjsonformat.cpp:82
↓ 4 callers
Function
ensureApp
Ensure a QCoreApplication exists (required for cross-thread signal delivery). The test binary uses gtest_main which does not create one.
tests/qtgui/calcworkertest.cpp:29
↓ 4 callers
Function
expectedBondOrder
avogadro/qtplugins/editor/editor.cpp:580
↓ 4 callers
Method
fileContents
avogadro/qtgui/interfacescript.cpp:527
↓ 4 callers
Method
fileNames
avogadro/qtgui/interfacescript.cpp:517
↓ 4 callers
Method
frozenAtom
avogadro/core/molecule.cpp:410
↓ 4 callers
Method
getNeighborsInclusive
avogadro/core/neighborperceiver.cpp:98
↓ 4 callers
Function
hallNumber
avogadro/core/molecule.h:619
↓ 4 callers
Function
hasMinimumRemainingBytes
avogadro/quantumio/gaussianfchk.cpp:35
↓ 4 callers
Method
hessianOfElectronDensity
avogadro/qtplugins/qtaim/qtaimwavefunctionevaluator.cpp:247
↓ 4 callers
Method
identifier
avogadro/qtplugins/scriptfileformats/fileformatscript.h:163
↓ 4 callers
Method
initCalculation
avogadro/core/slaterset.cpp:71
↓ 4 callers
Method
initialize
avogadro/core/atomtyper-inline.h:76
↓ 4 callers
Function
isRegular
avogadro/core/unitcell.h:142
↓ 4 callers
Method
loadRegisteredPackages
avogadro/qtgui/packagemanager.cpp:606
↓ 4 callers
Method
locateNuclearCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.cpp:372
↓ 4 callers
Method
mergeInstalledPackages
avogadro/qtplugins/packageinstaller/packagemodel.cpp:289
↓ 4 callers
Function
minusOneSignatureLocatorGradient
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:194
↓ 4 callers
Function
minusThreeSignatureLocatorGradient
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:156
↓ 4 callers
Method
mode
avogadro/qtgui/filebrowsewidget.cpp:229
↓ 4 callers
Method
name
avogadro/qtgui/elementtranslator.cpp:12
↓ 4 callers
Method
newFormatFromIdentifier
avogadro/io/fileformatmanager.cpp:207
↓ 4 callers
Method
newInstance
tests/io/fileformatmanagertest.cpp:190
↓ 4 callers
Method
nuclearCriticalPoints
avogadro/qtplugins/qtaim/qtaimcriticalpointlocator.h:40
↓ 4 callers
Function
plusOneSignatureLocatorGradient
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:231
↓ 4 callers
Function
plusThreeSignatureLocatorGradient
avogadro/qtplugins/qtaim/qtaimmathutilities.cpp:268
↓ 4 callers
Function
populateModel
Populate the model with a testing set of queues and programs. The queues and programs arguments will be overwritten by the data set in the model. Queu
tests/qtgui/molequeuequeuelistmodeltest.cpp:37
↓ 4 callers
Function
read
()
avogadro/qtplugins/scriptfileformats/formatScripts/zyx.py:42
↓ 4 callers
Function
readFloatText
avogadro/qtplugins/forcefield/scriptenergy.cpp:78
↓ 4 callers
Method
registerFormat
avogadro/io/fileformatmanager.cpp:119
↓ 4 callers
Method
removeConstraint
avogadro/core/molecule.cpp:373
↓ 4 callers
Method
rotate
avogadro/qtplugins/manipulator/manipulator.cpp:309
↓ 4 callers
Method
ruleCount
avogadro/qtgui/generichighlighter.cpp:44
↓ 4 callers
Method
setAtomPositions3d
avogadro/core/molecule.h:1194
↓ 4 callers
Method
setAtomSelected
avogadro/core/molecule.h:1239
↓ 4 callers
Method
setAtomicNumber
avogadro/qtplugins/templatetool/templatetoolwidget.cpp:124
↓ 4 callers
Method
setBold
avogadro/rendering/textproperties.h:182
↓ 4 callers
Method
setColorRgba
avogadro/rendering/textproperties.h:221
↓ 4 callers
Method
setDataMap
avogadro/core/molecule.cpp:464
↓ 4 callers
Method
setFrozenAtom
avogadro/core/molecule.cpp:386
↓ 4 callers
Method
setInputFile
avogadro/molequeue/client/jobobject.cpp:57
↓ 4 callers
Method
setLayer
avogadro/qtgui/rwmolecule.cpp:291
↓ 4 callers
Method
setMolecularOrbitalOccupancy
avogadro/core/basisset.h:314
↓ 4 callers
Method
setMolecule
avogadro/qtplugins/forcefield/forcefield.cpp:293
↓ 4 callers
Method
setOpacity
avogadro/qtplugins/surfacerender/surfacerender.cpp:195
↓ 4 callers
Function
setRawHeaders
avogadro/qtplugins/packageinstaller/packagemanagerdialog.cpp:40
↓ 4 callers
Method
setSize
avogadro/core/graph.cpp:25
↓ 4 callers
Method
setSymmetryLabels
avogadro/core/basisset.h:296
↓ 4 callers
Method
size
avogadro/core/array.h:162
↓ 4 callers
Function
square
avogadro/qtplugins/surfaces/surfaces.cpp:395
↓ 4 callers
Method
supportedOperations
avogadro/qtplugins/openbabel/obfileformat.h:33
↓ 4 callers
Method
surfaceType
avogadro/qtplugins/surfaces/surfacedialog.cpp:251
↓ 4 callers
Method
toChar
avogadro/core/variant-inline.h:479
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