Onsager
1.3
Onsager
Input and output for Onsager transport calculation
Example Notebooks
Modules
Onsager
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Index
Index
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A
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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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K
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L
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M
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N
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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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U
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V
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W
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Z
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__add__() (crystal.GroupOp method)
(PowerExpansion.Taylor3D method)
(crystalStars.PairState method)
(crystalStars.StarSet method)
__call__() (GFcalc.GFCrystalcalc method)
(PowerExpansion.Taylor3D method)
__contains__() (crystalStars.StarSet method)
__eq__() (crystal.GroupOp method)
(OnsagerCalc.vacancyThermoKinetics method)
(crystalStars.PairState method)
(supercell.Supercell method)
__getitem__() (PowerExpansion.Taylor3D method)
(supercell.Supercell method)
__hash__() (crystal.GroupOp method)
(OnsagerCalc.vacancyThermoKinetics method)
(crystalStars.PairState method)
__iadd__() (crystalStars.StarSet method)
(PowerExpansion.Taylor3D method)
__imul__() (supercell.Supercell method)
__init__() (crystal.Crystal method)
(GFcalc.GFCrystalcalc method)
(OnsagerCalc.Interstitial method)
(OnsagerCalc.VacancyMediated method)
(PowerExpansion.Taylor2D method)
(PowerExpansion.Taylor3D method)
(crystalStars.StarSet method)
(crystalStars.VectorStarSet method)
(supercell.Supercell method)
__initTaylor2Dindexing__() (PowerExpansion.Taylor2D class method)
__initTaylor3Dindexing__() (PowerExpansion.Taylor3D class method)
__isub__() (PowerExpansion.Taylor3D method)
__mul__() (crystal.GroupOp method)
(PowerExpansion.Taylor3D method)
(supercell.Supercell method)
__ne__() (crystal.GroupOp method)
(OnsagerCalc.vacancyThermoKinetics method)
(crystalStars.PairState method)
(supercell.Supercell method)
__neg__() (crystalStars.PairState method)
(PowerExpansion.Taylor3D method)
__pos__() (PowerExpansion.Taylor3D method)
__radd__() (PowerExpansion.Taylor3D method)
__repr__() (crystal.Crystal method)
(OnsagerCalc.vacancyThermoKinetics method)
__rmul__() (PowerExpansion.Taylor3D method)
(supercell.Supercell method)
__rsub__() (PowerExpansion.Taylor3D method)
__sane__() (crystal.GroupOp method)
(crystalStars.PairState method)
(supercell.Supercell method)
__setitem__() (PowerExpansion.Taylor3D method)
(supercell.Supercell method)
__str__() (crystal.Crystal method)
(GFcalc.GFCrystalcalc method)
(OnsagerCalc.Interstitial method)
(OnsagerCalc.VacancyMediated method)
(PowerExpansion.Taylor2D method)
(PowerExpansion.Taylor3D method)
(crystal.GroupOp method)
(crystalStars.PairState method)
(crystalStars.StarSet method)
(supercell.Supercell method)
__sub__() (crystal.GroupOp method)
(PowerExpansion.Taylor3D method)
(crystalStars.PairState method)
__weakref__ (crystal.Crystal attribute)
(GFcalc.GFCrystalcalc attribute)
(OnsagerCalc.Interstitial attribute)
(OnsagerCalc.VacancyMediated attribute)
(PowerExpansion.Taylor3D attribute)
(crystalStars.StarSet attribute)
(crystalStars.VectorStarSet attribute)
(supercell.Supercell attribute)
__xor__() (crystalStars.PairState method)
A
addbasis() (crystal.Crystal method)
addhdf5() (crystalStars.StarSet method)
(GFcalc.GFCrystalcalc method)
(OnsagerCalc.VacancyMediated method)
(PowerExpansion.Taylor3D method)
(crystalStars.VectorStarSet method)
addterms() (PowerExpansion.Taylor3D method)
array2PSlist() (in module crystalStars)
arrays2vTKdict() (in module OnsagerCalc)
automator (module)
B
bareexpansions() (crystalStars.VectorStarSet method)
BCC() (crystal.Crystal class method)
biascorrection() (GFcalc.GFCrystalcalc method)
biasexpansions() (crystalStars.VectorStarSet method)
BlockInvertOmegaTaylor() (GFcalc.GFCrystalcalc method)
BlockRotateOmegaTaylor() (GFcalc.GFCrystalcalc method)
BreakdownGroups() (GFcalc.GFCrystalcalc method)
C
calcmetric() (crystal.Crystal method)
cart2pos() (crystal.Crystal method)
cart2unit() (crystal.Crystal method)
center() (crystal.Crystal method)
checkinternalsHDF5() (PowerExpansion.Taylor2D class method)
(PowerExpansion.Taylor3D class method)
chemindex() (crystal.Crystal method)
clearcache() (OnsagerCalc.VacancyMediated method)
coeffproductcoeff() (PowerExpansion.Taylor3D class method)
collectcoeff() (PowerExpansion.Taylor3D class method)
CombineTensorBasis() (in module crystal)
CombineVectorBasis() (in module crystal)
constructexpansion() (PowerExpansion.Taylor3D class method)
copy() (crystalStars.StarSet method)
(PowerExpansion.Taylor3D method)
(supercell.Supercell method)
Crystal (class in crystal)
crystal (module)
crystalStars (module)
D
defectindices() (supercell.Supercell method)
definesolute() (supercell.Supercell method)
DiagGamma() (GFcalc.GFCrystalcalc method)
diffgenerate() (crystalStars.StarSet method)
Diffusivity() (GFcalc.GFCrystalcalc method)
diffusivity() (OnsagerCalc.Interstitial method)
doublelist2flatlistindex() (in module crystalStars)
dumpinternalsHDF5() (PowerExpansion.Taylor2D method)
(PowerExpansion.Taylor3D method)
E
eigen() (crystal.GroupOp method)
elastodiffusion() (OnsagerCalc.Interstitial method)
equivalencemap() (supercell.Supercell method)
exp_dxq() (GFcalc.GFCrystalcalc method)
F
FCC() (crystal.Crystal class method)
fillperiodic() (supercell.Supercell method)
flatlistindex2doublelist() (in module crystalStars)
FourierTransformJumps() (GFcalc.GFCrystalcalc method)
FourthRankIsotropic() (in module crystal)
fromcrys() (crystalStars.PairState class method)
fromcrys_latt() (crystalStars.PairState class method)
fromdict() (crystal.Crystal class method)
fullkptmesh() (crystal.Crystal method)
FullVectorBasis() (crystal.Crystal method)
G
g() (crystalStars.PairState method)
g_cart() (crystal.Crystal method)
g_direc() (crystal.Crystal static method)
g_direc_equivalent() (crystal.Crystal method)
g_pos() (crystal.Crystal method)
g_tensor() (crystal.Crystal static method)
g_vect() (crystal.Crystal static method)
gcdlist() (in module crystal)
genBZG() (crystal.Crystal method)
generate() (crystalStars.StarSet method)
(OnsagerCalc.VacancyMediated method)
(crystalStars.VectorStarSet method)
generateJumpGroupOps() (OnsagerCalc.Interstitial method)
generateJumpSymmTensorBasis() (OnsagerCalc.Interstitial method)
generatematrices() (OnsagerCalc.VacancyMediated method)
generateouter() (crystalStars.VectorStarSet method)
generateSiteGroupOps() (OnsagerCalc.Interstitial method)
generateSiteSymmTensorBasis() (OnsagerCalc.Interstitial method)
generatetags() (OnsagerCalc.Interstitial method)
(OnsagerCalc.VacancyMediated method)
gengroup() (crystal.Crystal method)
(supercell.Supercell method)
genpoint() (crystal.Crystal method)
genWyckoffsets() (crystal.Crystal method)
GFcalc (module)
GFcalculator() (OnsagerCalc.VacancyMediated method)
GFCrystalcalc (class in GFcalc)
GFexpansion() (crystalStars.VectorStarSet method)
GroupOp (class in crystal)
GroupOp_constructor() (crystal.GroupOp static method)
GroupOp_representer() (crystal.GroupOp static method)
H
HCP() (crystal.Crystal class method)
I
ident() (crystal.GroupOp class method)
ildot() (PowerExpansion.Taylor3D method)
inBZ() (crystal.Crystal method)
incell() (crystal.GroupOp method)
(in module crystal)
index() (supercell.Supercell method)
inhalf() (crystal.GroupOp method)
(in module crystal)
interactlist() (OnsagerCalc.VacancyMediated method)
Interstitial (class in OnsagerCalc)
inv() (crystal.GroupOp method)
(PowerExpansion.Taylor3D method)
inversecoeff() (PowerExpansion.Taylor3D class method)
irdot() (PowerExpansion.Taylor3D method)
irotate() (PowerExpansion.Taylor3D method)
isotropicFourthRank() (in module crystal)
iszero() (crystalStars.PairState method)
J
jumpDipoles() (OnsagerCalc.Interstitial method)
jumpnetwork() (crystal.Crystal method)
jumpnetwork2lattice() (crystal.Crystal method)
jumpnetwork_omega1() (crystalStars.StarSet method)
jumpnetwork_omega2() (crystalStars.StarSet method)
jumpnetworkYAML() (OnsagerCalc.Interstitial static method)
K
KrogerVink() (supercell.Supercell method)
L
ldot() (PowerExpansion.Taylor3D method)
Lij() (OnsagerCalc.VacancyMediated method)
loadhdf5() (crystalStars.StarSet class method)
(GFcalc.GFCrystalcalc class method)
(OnsagerCalc.VacancyMediated class method)
(PowerExpansion.Taylor3D class method)
(crystalStars.VectorStarSet class method)
losstensors() (OnsagerCalc.Interstitial method)
M
makedirectmult() (PowerExpansion.Taylor2D class method)
(PowerExpansion.Taylor3D class method)
makeFCpow() (PowerExpansion.Taylor2D class method)
makeindexPowerFC() (PowerExpansion.Taylor2D static method)
makeindexPowerYlm() (PowerExpansion.Taylor3D static method)
makeLIMBpreene() (OnsagerCalc.VacancyMediated method)
makeLprojections() (PowerExpansion.Taylor2D class method)
(PowerExpansion.Taylor3D class method)
makepowercoeff() (PowerExpansion.Taylor2D class method)
(PowerExpansion.Taylor3D class method)
makepowFC() (PowerExpansion.Taylor2D class method)
makepowYlm() (PowerExpansion.Taylor3D class method)
makesites() (supercell.Supercell method)
makesupercells() (OnsagerCalc.Interstitial method)
(OnsagerCalc.VacancyMediated method)
maketracerpreene() (OnsagerCalc.VacancyMediated method)
maketrans() (supercell.Supercell static method)
makeYlmpow() (PowerExpansion.Taylor3D class method)
map2string() (in module automator)
maptranslation() (in module crystal)
minlattice() (crystal.Crystal method)
N
ndarray_representer() (in module crystal)
negcoeff() (PowerExpansion.Taylor3D class method)
networkcount() (GFcalc.GFCrystalcalc static method)
nl() (PowerExpansion.Taylor3D method)
nnlist() (crystal.Crystal method)
O
occposlist() (supercell.Supercell method)
omegalist() (OnsagerCalc.VacancyMediated method)
OnsagerCalc (module)
optype() (crystal.GroupOp static method)
originstateVectorBasisfolddown() (crystalStars.VectorStarSet method)
P
PairState (class in crystalStars)
PairState_constructor() (crystalStars.PairState static method)
PairState_representer() (crystalStars.PairState static method)
pos2cart() (crystal.Crystal method)
POSCAR() (supercell.Supercell method)
PowerExpansion (module)
powexp() (PowerExpansion.Taylor2D class method)
(PowerExpansion.Taylor3D class method)
preene2betafree() (OnsagerCalc.VacancyMediated static method)
ProjectTensorBasis() (in module crystal)
PSlist2array() (in module crystalStars)
R
rateexpansions() (crystalStars.VectorStarSet method)
ratelist() (OnsagerCalc.Interstitial method)
rdot() (PowerExpansion.Taylor3D method)
reduce() (crystal.Crystal method)
(PowerExpansion.Taylor3D method)
reducecoeff() (PowerExpansion.Taylor3D class method)
reducekptmesh() (crystal.Crystal method)
remapbasis() (crystal.Crystal method)
reorder() (supercell.Supercell method)
rotate() (PowerExpansion.Taylor3D method)
rotatecoeff() (PowerExpansion.Taylor3D class method)
rotatedirections() (PowerExpansion.Taylor2D class method)
(PowerExpansion.Taylor3D class method)
S
scalarproductcoeff() (PowerExpansion.Taylor3D class method)
separate() (PowerExpansion.Taylor3D method)
separatecoeff() (PowerExpansion.Taylor3D class method)
setocc() (supercell.Supercell method)
SetRates() (GFcalc.GFCrystalcalc method)
simpleYAML() (crystal.Crystal method)
siteDipoles() (OnsagerCalc.Interstitial method)
sitelist() (crystal.Crystal method)
sitelistYAML() (OnsagerCalc.Interstitial static method)
siteprob() (OnsagerCalc.Interstitial method)
starindex() (crystalStars.StarSet method)
StarSet (class in crystalStars)
stateindex() (crystalStars.StarSet method)
stoichiometry() (supercell.Supercell method)
strain() (crystal.Crystal method)
sumcoeff() (PowerExpansion.Taylor3D class method)
Supercell (class in supercell)
supercell (module)
supercelltar() (in module automator)
symmatch() (crystalStars.StarSet method)
symmequivjumplist() (crystalStars.StarSet method)
symmratelist() (OnsagerCalc.Interstitial method)
SymmRates() (GFcalc.GFCrystalcalc method)
SymmTensorBasis() (crystal.Crystal method)
(in module crystal)
T
tags2preene() (OnsagerCalc.VacancyMediated method)
Taylor2D (class in PowerExpansion)
Taylor3D (class in PowerExpansion)
TaylorExpandJumps() (GFcalc.GFCrystalcalc method)
tensorproductcoeff() (PowerExpansion.Taylor3D class method)
truncate() (PowerExpansion.Taylor3D method)
truncatecoeff() (PowerExpansion.Taylor3D class method)
U
unit2cart() (crystal.Crystal method)
V
VacancyMediated (class in OnsagerCalc)
vacancyThermoKinetics (class in OnsagerCalc)
vacancyThermoKinetics_constructor() (OnsagerCalc.vacancyThermoKinetics static method)
vacancyThermoKinetics_representer() (OnsagerCalc.vacancyThermoKinetics static method)
vectlist() (crystal.Crystal static method)
VectorBasis() (crystal.Crystal method)
(in module crystal)
VectorStarSet (class in crystalStars)
Voigtstrain() (in module crystal)
vTKdict2arrays() (in module OnsagerCalc)
W
Wyckoffpos() (crystal.Crystal method)
Z
zero() (crystalStars.PairState class method)
zeroclean() (in module crystalStars)
zeros() (PowerExpansion.Taylor3D class method)