ePSproc
v1.2.6
Intro & demos:
ePSproc Readme
ePSproc demo
ePSproc
\(\beta_{L,M}\)
calculations demo
ePSproc X-section demo
Matrix element LM plotting routines demo
ePSproc wavefunction plotting tests & demo
ePSdata interface demo
ePSproc wavefunction plotting tests & demo: CH3I with animation
Tutorials:
ePolyScat basics tutorial
ePolyScat advanced usage tutorial
Test Notebooks:
ePSproc function defn tests
Frame definitions & rotations tests
Low-level function tests & benchmarks
ePSproc - basic plotting development, XC version
hvPlotters function tests
Method Development:
Method development for geometric functions
Method development for geometric functions pt 2:
\(\beta\)
parameters with geometric functions.
Method development for geometric functions pt 3:
\(\beta\)
aligned-frame (AF) parameters with geometric functions.
ePSproc LF/AF function verification & tests
cclib + chemlab for orbital functions
Function ref:
epsproc package
ePSproc
Docs
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Index
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Index
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B
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C
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D
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E
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F
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G
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H
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I
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J
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L
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M
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O
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P
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R
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S
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T
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W
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X
A
ADMdimList() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.listFuncs)
afblm() (in module epsproc)
(in module epsproc.AFBLM)
AFBLMCalcLoop() (in module epsproc)
(in module epsproc.AFBLM)
afblmXprod() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.afblmGeom)
arraySort2D() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.misc)
Arrow3D (class in epsproc)
(class in epsproc.basicPlotters)
B
betaTerm() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomCalc)
BLMdimList() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.listFuncs)
BLMplot() (in module epsproc)
(in module epsproc.basicPlotters)
blmXarray() (in module epsproc)
,
[1]
(in module epsproc.AFBLM)
(in module epsproc.MFBLM)
C
calcOrb() (epsproc.vol.orbPlot.molOrbPlotter method)
calcSpectrogram() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
CG() (in module epsproc.geomFunc.geomCalc)
chirp() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
conv_BL_BLM() (in module epsproc.util.conversion)
conv_ev_atm() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.conversion)
conv_ev_nm() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.conversion)
D
dataGroupSel() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.selectors)
dataTypesList() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.listFuncs)
deltaLMKQS() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomCalc)
draw() (epsproc.Arrow3D method)
(epsproc.basicPlotters.Arrow3D method)
dumpIdyFileParse() (in module epsproc)
(in module epsproc.IO)
dumpIdySegParse() (in module epsproc)
(in module epsproc.IO)
dumpIdySegsParseX() (in module epsproc)
(in module epsproc.IO)
E
ECalc() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
EDCSFileParse() (in module epsproc)
(in module epsproc.IO)
EDCSSegParse() (in module epsproc)
(in module epsproc.IO)
EDCSSegsParseX() (in module epsproc)
(in module epsproc.IO)
EFFT() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
Efield (class in epsproc)
(class in epsproc.efield)
(class in epsproc.efield.efields)
EiFFT() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
EPR() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomCalc)
epsproc (module)
epsproc.AFBLM (module)
epsproc.basicPlotters (module)
epsproc.efield (module)
epsproc.efield.efields (module)
epsproc.geomFunc (module)
epsproc.geomFunc.afblmGeom (module)
epsproc.geomFunc.geomCalc (module)
epsproc.geomFunc.geomUtils (module)
epsproc.geomFunc.lfblmGeom (module)
epsproc.geomFunc.mfblmGeom (module)
epsproc.geomFunc.w3jVecMethods (module)
epsproc.IO (module)
epsproc.MFBLM (module)
epsproc.MFPAD (module)
epsproc.plot (module)
epsproc.plot.hvPlotters (module)
epsproc.sphCalc (module)
epsproc.sphPlot (module)
epsproc.util (module)
epsproc.util.conversion (module)
epsproc.util.listFuncs (module)
epsproc.util.misc (module)
epsproc.util.selectors (module)
epsproc.util.summary (module)
epsproc.vol (module)
epsproc.vol.orbPlot (module)
epsproc.vol.setOptions (module)
epsproc.vol.wfPlot (module)
eulerDimList() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.listFuncs)
F
fConv() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
fileListSort() (in module epsproc.util.misc)
fileParse() (in module epsproc)
(in module epsproc.IO)
finst() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
FWHMGau() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
G
Gau() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
genKQSterms() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomUtils)
genKQStermsFromTensors() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomUtils)
genllL() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomUtils)
genllLList() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomUtils)
genllpMatE() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomUtils)
genLM() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.listFuncs)
getCroFileParse() (in module epsproc)
(in module epsproc.IO)
getCroSegParse() (in module epsproc)
(in module epsproc.IO)
getCroSegsParseX() (in module epsproc)
(in module epsproc.IO)
getFiles() (in module epsproc)
(in module epsproc.IO)
getOrbFiles() (epsproc.vol.wfPlot.wfPlotter method)
H
head() (epsproc.vol.wfPlot.wfPlotter method)
headerFileParse() (in module epsproc)
(in module epsproc.IO)
hvdsConv() (in module epsproc.plot.hvPlotters)
I
importChemLabQC() (in module epsproc.vol.orbPlot)
J
jobSummary() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.summary)
L
lfblmXprod() (in module epsproc.geomFunc.lfblmGeom)
lmPlot() (in module epsproc)
(in module epsproc.basicPlotters)
lmSymSummary() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.summary)
M
matEdimList() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.listFuncs)
matEleGroupDim() (in module epsproc)
(in module epsproc.IO)
matEleGroupDimX() (in module epsproc)
(in module epsproc.IO)
matEleGroupDimXnested() (in module epsproc)
(in module epsproc.IO)
matEleSelector() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.selectors)
mfblm() (in module epsproc)
(in module epsproc.MFBLM)
MFBLMCalcLoop() (in module epsproc)
(in module epsproc.MFBLM)
mfblmEuler() (in module epsproc)
(in module epsproc.MFBLM)
mfblmXprod() (in module epsproc)
,
[1]
(in module epsproc.geomFunc)
,
[1]
(in module epsproc.geomFunc.mfblmGeom)
mfpad() (in module epsproc)
(in module epsproc.MFPAD)
MFproj() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomCalc)
molInfoParse() (in module epsproc)
(in module epsproc.IO)
molOrbPlotter (class in epsproc.vol.orbPlot)
molPlot() (in module epsproc)
(in module epsproc.basicPlotters)
multiDimXrToPD() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.conversion)
O
orb3DCoordConv() (in module epsproc.util)
(in module epsproc.util.conversion)
P
parseLineDigits() (in module epsproc)
(in module epsproc.IO)
phaseMask() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
plot() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
plotOrb() (epsproc.vol.orbPlot.molOrbPlotter method)
plotSpectrogram() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
plotSpectrogramHV() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
plotTypeSelector() (in module epsproc)
(in module epsproc.sphPlot)
plotWf() (epsproc.vol.wfPlot.wfPlotter method)
plotWfV2() (epsproc.vol.wfPlot.wfPlotter method)
printDef() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
R
readMatEle() (in module epsproc)
(in module epsproc.IO)
readOptionsFile() (in module epsproc.vol.setOptions)
readOrb3D() (in module epsproc)
(in module epsproc.IO)
readOrbCoords() (in module epsproc)
(in module epsproc.IO)
readOrbData() (in module epsproc)
(in module epsproc.IO)
readOrbElements() (in module epsproc)
(in module epsproc.IO)
readOrbFiles() (epsproc.vol.wfPlot.wfPlotter method)
readOrbHeader() (in module epsproc)
(in module epsproc.IO)
readXarray() (in module epsproc)
(in module epsproc.IO)
remapllpL() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomCalc)
removePhase() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
renormL0() (in module epsproc.util.conversion)
S
scatEngFileParse() (in module epsproc)
(in module epsproc.IO)
selectOrbFiles() (epsproc.vol.wfPlot.wfPlotter method)
selQNsRow() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomUtils)
setADMs() (in module epsproc)
(in module epsproc.sphCalc)
setData() (epsproc.vol.wfPlot.wfPlotter method)
setEf() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
setGrid() (epsproc.vol.orbPlot.molOrbPlotter method)
(epsproc.vol.wfPlot.wfPlotter method)
setIsoVals() (epsproc.vol.wfPlot.wfPlotter method)
setLocalOptions() (in module epsproc.vol.setOptions)
setPhase() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
setPhaseConventions() (in module epsproc)
,
[1]
(in module epsproc.geomFunc)
,
[1]
(in module epsproc.geomFunc.geomCalc)
setPlotOptions() (epsproc.vol.wfPlot.wfPlotter method)
setPlotters() (in module epsproc.plot.hvPlotters)
setPolGeoms() (in module epsproc)
(in module epsproc.sphCalc)
showGif() (epsproc.vol.wfPlot.wfPlotter method)
sortOrbFiles() (epsproc.vol.wfPlot.wfPlotter method)
sphCalc() (in module epsproc)
,
[1]
(in module epsproc.sphCalc)
sphFromBLMPlot() (in module epsproc)
(in module epsproc.sphPlot)
sphPlotHV() (in module epsproc)
(in module epsproc.sphPlot)
sphPlotMPL() (in module epsproc)
(in module epsproc.sphPlot)
sphPlotPL() (in module epsproc)
(in module epsproc.sphPlot)
sphSumPlotX() (in module epsproc)
(in module epsproc.sphPlot)
sphToCart() (in module epsproc)
(in module epsproc.sphPlot)
stringRepMap() (in module epsproc)
(in module epsproc.util)
(in module epsproc.util.misc)
symFileParse() (in module epsproc)
(in module epsproc.IO)
symListGen() (in module epsproc)
(in module epsproc.basicPlotters)
T
tail() (epsproc.vol.wfPlot.wfPlotter method)
timeStamp() (in module epsproc.util.misc)
TKQarrayRot() (in module epsproc)
(in module epsproc.sphCalc)
TKQarrayRotX() (in module epsproc)
(in module epsproc.sphCalc)
toXarrayDS() (epsproc.Efield method)
(epsproc.efield.Efield method)
(epsproc.efield.efields.Efield method)
W
w3jguVecCPU() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.w3jVecMethods)
w3jprange() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.w3jVecMethods)
w3jTable() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.geomCalc)
wDcalc() (in module epsproc)
(in module epsproc.sphCalc)
wfPlotter (class in epsproc.vol.wfPlot)
Wigner3jCached (in module epsproc)
,
[1]
(in module epsproc.AFBLM)
(in module epsproc.MFBLM)
Wigner3jQNs() (in module epsproc)
(in module epsproc.geomFunc)
(in module epsproc.geomFunc.w3jVecMethods)
Wigner_D_element_Cached (in module epsproc)
,
[1]
(in module epsproc.AFBLM)
(in module epsproc.MFBLM)
writeOptions() (epsproc.vol.wfPlot.wfPlotter method)
writeOptionsFile() (in module epsproc.vol.setOptions)
writeOrb3Dvtk() (in module epsproc)
(in module epsproc.IO)
writeXarray() (in module epsproc)
(in module epsproc.IO)
X
XCplot() (in module epsproc.plot.hvPlotters)
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