pairinteraction package

Submodules

pairinteraction.picomplex module

Backend for complex matrices

pairinteraction.picomplex.HypergeometricU(a, b, z) → double[source]
Parameters
  • a (double) –

  • b (double) –

  • z (double) –

class pairinteraction.picomplex.MatrixElementCache(self)MatrixElementCache[source]

Bases: object

__init__(self, cachedir) -> MatrixElementCache

Parameters

cachedir (std::string const &) –

getDefectDB(self) → std::string const &[source]
getDiamagnetism(self, state_row, state_col, k) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • k (int) –

getElectricDipole(self, state_row, state_col) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getElectricMultipole(self, state_row, state_col, k) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • k (int) –

  • getElectricMultipole(self

  • state_row

  • state_col

  • kappa_radial (int) –

  • -> double (kappa_angular)) –

  • state_row

  • state_col

  • kappa_radial

  • kappa_angular (int) –

getMagneticDipole(self, state_row, state_col) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getRadial(self, state_row, state_col, kappa) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • kappa (int) –

loadElectricDipoleDB(self, path, species)[source]
Parameters
  • path (std::string const &) –

  • species (std::string const &) –

precalculateDiamagnetism(self, basis_one, k, q)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • k (int) –

  • q (int) –

precalculateElectricMomentum(self, basis_one, q)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • q (int) –

precalculateMagneticMomentum(self, basis_one, q)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • q (int) –

precalculateMultipole(self, basis_one, k)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • k (int) –

precalculateRadial(self, basis_one, k)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • k (int) –

setDefectDB(self, path)[source]
Parameters

path (std::string const &) –

setMethod(self, m)[source]
Parameters

m (method_t const &) –

size(self) → size_t[source]
property thisown

The membership flag

class pairinteraction.picomplex.Numerov(self, qd)Numerov[source]

Bases: object

Parameters

qd (QuantumDefect const &) –

integrate(self) → eigen_dense_double_t[source]
static power_kernel(power) → int[source]
Parameters

power (int) –

property thisown

The membership flag

pairinteraction.picomplex.Numerov_power_kernel(power) → int[source]
Parameters

power (int) –

class pairinteraction.picomplex.PerturbativeInteraction(self, cache)PerturbativeInteraction[source]

Bases: object

Parameters
  • cache (MatrixElementCache &) –

  • __init__(self

  • angle (double) –

  • -> PerturbativeInteraction (cache)) –

  • angle

  • cache

getC3(self, states) → eigen_dense_double_t[source]
Parameters

states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getC6(self, state, deltaN) → double[source]
Parameters
  • state (StateTwo const &) –

  • deltaN (double) –

  • getC6(self

  • states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

  • -> eigen_dense_double_t (deltaN)) –

  • states

  • deltaN

getEnergy(self, states) → eigen_dense_double_t[source]
Parameters

states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

property thisown

The membership flag

class pairinteraction.picomplex.QuantumDefect(self, species, n, l, j)QuantumDefect[source]

Bases: object

Parameters
  • species (std::string const &) –

  • n (int) –

  • l (int) –

  • j (double) –

  • __init__(self

  • species

  • n

  • l

  • j

  • -> QuantumDefect (database)) –

  • species

  • n

  • l

  • j

  • database (std::string const &) –

property Z
property a1
property a2
property a3
property a4
property ac
property energy
property j
property l
property n
property nstar
property rc
property species
property thisown

The membership flag

pairinteraction.picomplex.RadialWFWhittaker(r, nu, l) → double[source]
Parameters
  • r (double) –

  • nu (double) –

  • l (int) –

class pairinteraction.picomplex.StateOne(self)StateOne[source]

Bases: object

__init__(self, species, n, l, j, m) -> StateOne

Parameters
  • species (std::string) –

  • n (int) –

  • l (int) –

  • j (float) –

  • m (float) –

  • __init__(self

  • -> StateOne (label)) –

  • label (std::string) –

getElement(self) → std::string const &[source]
getEnergy(self) → double[source]

getEnergy(self, cache) -> double

Parameters

cache (MatrixElementCache &) –

getHash(self) → size_t const &[source]
getJ(self) → float const &[source]
getL(self) → int const &[source]
getLabel(self) → std::string const &[source]
getM(self) → float const &[source]
getN(self) → int const &[source]
getNStar(self) → double[source]

getNStar(self, cache) -> double

Parameters

cache (MatrixElementCache &) –

getReflected(self)StateOne[source]
getS(self) → float const &[source]
getSpecies(self) → std::string const &[source]
isArtificial(self) → bool[source]
isGeneralized(self) → bool[source]
str(self) → std::string[source]
property thisown

The membership flag

class pairinteraction.picomplex.StateTwo(self)StateTwo[source]

Bases: object

__init__(self, species, n, l, j, m) -> StateTwo

Parameters
  • species (std::array< std::string,2 >) –

  • n (std::array< int,2 >) –

  • l (std::array< int,2 >) –

  • j (std::array< float,2 >) –

  • m (std::array< float,2 >) –

  • __init__(self

  • -> StateTwo (second_state)) –

  • label (std::array< std::string,2 >) –

  • __init__(self

  • first_state (StateOne) –

  • -> StateTwo

  • first_state

  • second_state (StateOne) –

getElement(self) → ArrayStringTwo[source]

getElement(self, idx) -> std::string const &

Parameters

idx (int) –

getEnergy(self) → double[source]

getEnergy(self, cache) -> double

Parameters
  • cache (MatrixElementCache &) –

  • getEnergy(self

  • -> double (cache)) –

  • idx (int) –

  • getEnergy(self

  • idx

  • -> double

  • idx

  • cache

getFirstState(self)StateOne[source]
getHash(self) → size_t const &[source]
getJ(self) → ArrayFloatTwo[source]

getJ(self, idx) -> float const &

Parameters

idx (int) –

getL(self) → ArrayIntTwo[source]

getL(self, idx) -> int const &

Parameters

idx (int) –

getLabel(self) → ArrayStringTwo[source]

getLabel(self, idx) -> std::string const &

Parameters

idx (int) –

getLeRoyRadius(self, cache) → double[source]
Parameters

cache (MatrixElementCache &) –

getM(self) → ArrayFloatTwo[source]

getM(self, idx) -> float const &

Parameters

idx (int) –

getN(self) → ArrayIntTwo[source]

getN(self, idx) -> int const &

Parameters

idx (int) –

getNStar(self) → ArrayDoubleTwo[source]

getNStar(self, cache) -> ArrayDoubleTwo

Parameters
  • cache (MatrixElementCache &) –

  • getNStar(self

  • -> double (cache)) –

  • idx (int) –

  • getNStar(self

  • idx

  • -> double

  • idx

  • cache

getReflected(self)StateTwo[source]
getS(self) → ArrayFloatTwo[source]

getS(self, idx) -> float const &

Parameters

idx (int) –

getSecondState(self)StateOne[source]
getSpecies(self) → ArrayStringTwo[source]

getSpecies(self, idx) -> std::string const &

Parameters

idx (int) –

isArtificial(self) → ArrayBoolTwo[source]

isArtificial(self, idx) -> bool

Parameters

idx (int) –

isGeneralized(self) → ArrayBoolTwo[source]

isGeneralized(self, idx) -> bool

Parameters

idx (int) –

str(self) → std::string[source]
property thisown

The membership flag

class pairinteraction.picomplex.Symmetry(self)Symmetry[source]

Bases: object

property inversion
property permutation
property reflection
property rotation
property thisown

The membership flag

class pairinteraction.picomplex.SystemOne(self, species, cache)SystemOne[source]

Bases: pairinteraction.picomplex._SystemStateOne

Parameters
  • species (std::string) –

  • cache (MatrixElementCache &) –

  • __init__(self

  • species

  • cache

  • -> SystemOne (other)) –

  • species

  • cache

  • memory_saving (bool) –

  • __init__(self

  • -> SystemOne

  • other (SystemOne const &) –

add(self, system)
Parameters

system (SystemBase< StateOne > &) –

addHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

addStates(self, s)
Parameters
  • s (std::set< StateOne,std::less< StateOne >,std::allocator< StateOne > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)
Parameters

system0 (SystemBase< StateOne > &) –

buildBasis(self)
buildHamiltonian(self)
buildInteraction(self)
canonicalize(self)
constrainBasisvectors(self, indices_of_wanted_basisvectors)
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

enableDiamagnetism(self, enable)[source]
Parameters

enable (bool) –

forgetStatemixing(self)
getBasisvectorIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateOne const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getBasisvectors(self) → eigen_sparse_t &
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo
Parameters
  • system_to (SystemBase< StateOne > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &
getHamiltonianEntry(self, state_row, state_col) → scalar_t
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getMainStates(self) → VectorStateOne
getNumBasisvectors(self) → size_t
getNumStates(self) → size_t
getOverlap(self, generalizedstate) → eigen_vector_double_t
Parameters
  • generalizedstate (StateOne const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getSpecies(self) → std::string const &[source]
getStateIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateOne const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getStates(self) → VectorStateOne
getStatesMultiIndex(self) → states_set< StateOne >::type const &
restrictEnergy(self, e_min, e_max)
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setBfield(self, field)[source]
Parameters
  • field (std::array< double,3 >) –

  • setBfield(self

  • field

  • to_z_axis (std::array< double,3 >) –

  • to_y_axis)

  • field

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • setBfield(self

  • field

  • alpha (double) –

  • beta (double) –

  • gamma)

  • field

  • alpha

  • beta

  • gamma (double) –

setConservedMomentaUnderRotation(self, momenta)[source]
Parameters

momenta (std::set< float,std::less< float >,std::allocator< float > > const &) –

setConservedParityUnderReflection(self, parity)[source]
Parameters

parity (enum parity_t) –

setEfield(self, field)[source]
Parameters
  • field (std::array< double,3 >) –

  • setEfield(self

  • field

  • to_z_axis (std::array< double,3 >) –

  • to_y_axis)

  • field

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • setEfield(self

  • field

  • alpha (double) –

  • beta (double) –

  • gamma)

  • field

  • alpha

  • beta

  • gamma (double) –

setHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

setIonCharge(self, c)[source]
Parameters

c (int) –

setMinimalNorm(self, threshold)
Parameters

threshold (double const &) –

setRydIonDistance(self, d)[source]
Parameters

d (double) –

setRydIonOrder(self, o)[source]
Parameters

o (unsigned int) –

property thisown

The membership flag

unitarize(self)
class pairinteraction.picomplex.SystemTwo(self, b1, b2, cache)SystemTwo[source]

Bases: pairinteraction.picomplex._SystemStateTwo

Parameters
  • b1 (SystemOne const &) –

  • b2 (SystemOne const &) –

  • cache (MatrixElementCache &) –

  • __init__(self

  • b1

  • b2

  • cache

  • -> SystemTwo (other)) –

  • b1

  • b2

  • cache

  • memory_saving (bool) –

  • __init__(self

  • -> SystemTwo

  • other (SystemTwo const &) –

add(self, system)
Parameters

system (SystemBase< StateTwo > &) –

addHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

addStates(self, s)
Parameters
  • s (std::set< StateTwo,std::less< StateTwo >,std::allocator< StateTwo > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)
Parameters

system0 (SystemBase< StateTwo > &) –

buildBasis(self)
buildHamiltonian(self)
buildInteraction(self)
canonicalize(self)
constrainBasisvectors(self, indices_of_wanted_basisvectors)
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

enableGreenTensor(self, GTboolean)[source]
Parameters

GTboolean (bool) –

forgetStatemixing(self)
getBasisvectorIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateTwo const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getBasisvectors(self) → eigen_sparse_t &
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo
Parameters
  • system_to (SystemBase< StateTwo > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &
getHamiltonianEntry(self, state_row, state_col) → scalar_t
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

getMainStates(self) → VectorStateTwo
getNumBasisvectors(self) → size_t
getNumStates(self) → size_t
getOverlap(self, generalizedstate) → eigen_vector_double_t
Parameters
  • generalizedstate (StateTwo const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getSpecies(self) → ArrayStringTwo[source]
getStateIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateTwo const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getStates(self) → VectorStateTwo
getStatesFirst(self) → VectorStateOne[source]
getStatesMultiIndex(self) → states_set< StateTwo >::type const &
getStatesSecond(self) → VectorStateOne[source]
restrictEnergy(self, e_min, e_max)
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setAngle(self, a)[source]
Parameters

a (double) –

setConservedMomentaUnderRotation(self, momenta)[source]
Parameters

momenta (std::set< int,std::less< int >,std::allocator< int > > const &) –

setConservedParityUnderInversion(self, parity)[source]
Parameters

parity (enum parity_t) –

setConservedParityUnderPermutation(self, parity)[source]
Parameters

parity (enum parity_t) –

setConservedParityUnderReflection(self, parity)[source]
Parameters

parity (enum parity_t) –

setDistance(self, d)[source]
Parameters

d (double) –

setDistanceVector(self, d)[source]
Parameters

d (std::array< double,3 >) –

setHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

setMinimalNorm(self, threshold)
Parameters

threshold (double const &) –

setOneAtomBasisvectors(self, indices)[source]
Parameters

indices (std::vector< std::array< size_t,2 >,std::allocator< std::array< size_t,2 > > > const &) –

setOrder(self, o)[source]
Parameters

o (double) –

setSurfaceDistance(self, d)[source]
Parameters

d (double) –

property thisown

The membership flag

unitarize(self)
pairinteraction.picomplex.V(qd, x) → double[source]
Parameters
  • qd (QuantumDefect const &) –

  • x (double) –

class pairinteraction.picomplex.Whittaker(self, qd)Whittaker[source]

Bases: object

Parameters

qd (QuantumDefect const &) –

integrate(self) → eigen_dense_double_t[source]
static power_kernel(power) → double[source]
Parameters

power (int) –

property thisown

The membership flag

pairinteraction.picomplex.WhittakerW(k, m, z) → double[source]
Parameters
  • k (double) –

  • m (double) –

  • z (double) –

pairinteraction.picomplex.Whittaker_power_kernel(power) → double[source]
Parameters

power (int) –

class pairinteraction.picomplex.WignerD(self)WignerD[source]

Bases: object

property thisown

The membership flag

class pairinteraction.picomplex._SwigNonDynamicMeta[source]

Bases: type

Meta class to enforce nondynamic attributes (no new attributes) for a class

mro()

Return a type’s method resolution order.

class pairinteraction.picomplex._SystemStateOne(*args, **kwargs)[source]

Bases: object

Proxy of C++ SystemBase< StateOne > class.

add(self, system)[source]
Parameters

system (SystemBase< StateOne > &) –

addHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

addStates(self, s)[source]
Parameters
  • s (std::set< StateOne,std::less< StateOne >,std::allocator< StateOne > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)[source]
Parameters

system0 (SystemBase< StateOne > &) –

buildBasis(self)[source]
buildHamiltonian(self)[source]
buildInteraction(self)[source]
canonicalize(self)[source]
constrainBasisvectors(self, indices_of_wanted_basisvectors)[source]
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)[source]
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

forgetStatemixing(self)[source]
getBasisvectorIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateOne const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getBasisvectors(self) → eigen_sparse_t &[source]
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo[source]
Parameters
  • system_to (SystemBase< StateOne > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &[source]
getHamiltonianEntry(self, state_row, state_col) → scalar_t[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getMainStates(self) → VectorStateOne[source]
getNumBasisvectors(self) → size_t[source]
getNumStates(self) → size_t[source]
getOverlap(self, generalizedstate) → eigen_vector_double_t[source]
Parameters
  • generalizedstate (StateOne const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getStateIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateOne const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getStates(self) → VectorStateOne[source]
getStatesMultiIndex(self) → states_set< StateOne >::type const &[source]
restrictEnergy(self, e_min, e_max)[source]
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)[source]
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)[source]
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)[source]
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)[source]
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)[source]
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

setMinimalNorm(self, threshold)[source]
Parameters

threshold (double const &) –

property thisown

The membership flag

unitarize(self)[source]
class pairinteraction.picomplex._SystemStateTwo(*args, **kwargs)[source]

Bases: object

Proxy of C++ SystemBase< StateTwo > class.

add(self, system)[source]
Parameters

system (SystemBase< StateTwo > &) –

addHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

addStates(self, s)[source]
Parameters
  • s (std::set< StateTwo,std::less< StateTwo >,std::allocator< StateTwo > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)[source]
Parameters

system0 (SystemBase< StateTwo > &) –

buildBasis(self)[source]
buildHamiltonian(self)[source]
buildInteraction(self)[source]
canonicalize(self)[source]
constrainBasisvectors(self, indices_of_wanted_basisvectors)[source]
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)[source]
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

forgetStatemixing(self)[source]
getBasisvectorIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateTwo const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getBasisvectors(self) → eigen_sparse_t &[source]
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo[source]
Parameters
  • system_to (SystemBase< StateTwo > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &[source]
getHamiltonianEntry(self, state_row, state_col) → scalar_t[source]
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

getMainStates(self) → VectorStateTwo[source]
getNumBasisvectors(self) → size_t[source]
getNumStates(self) → size_t[source]
getOverlap(self, generalizedstate) → eigen_vector_double_t[source]
Parameters
  • generalizedstate (StateTwo const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getStateIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateTwo const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getStates(self) → VectorStateTwo[source]
getStatesMultiIndex(self) → states_set< StateTwo >::type const &[source]
restrictEnergy(self, e_min, e_max)[source]
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)[source]
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)[source]
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)[source]
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)[source]
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)[source]
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

setMinimalNorm(self, threshold)[source]
Parameters

threshold (double const &) –

property thisown

The membership flag

unitarize(self)[source]
pairinteraction.picomplex._swig_add_metaclass(metaclass)[source]

Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass

pairinteraction.picomplex.compute(config_name, output_name) → int[source]
Parameters
  • config_name (std::string const &) –

  • output_name (std::string const &) –

pairinteraction.picomplex.energy_level(species, n, l, j, database='') → double[source]
Parameters
  • species (std::string const &) –

  • n (int) –

  • l (int) –

  • j (double) –

  • database (std::string const &) –

pairinteraction.picomplex.g(qd, x) → double[source]
Parameters
  • qd (QuantumDefect const &) –

  • x (double) –

pairinteraction.picomplex.nstar(species, n, l, j, database='') → double[source]
Parameters
  • species (std::string const &) –

  • n (int) –

  • l (int) –

  • j (double) –

  • database (std::string const &) –

pairinteraction.picomplex.selectionRulesMomentumNew(state1, state2, q) → bool[source]
Parameters
  • state1 (StateOne const &) –

  • state2 (StateOne const &) –

  • q (int) –

  • selectionRulesMomentumNew(state1

  • -> bool (state2)) –

  • state1

  • state2

pairinteraction.picomplex.selectionRulesMultipoleNew(state1, state2, kappa, q) → bool[source]
Parameters
  • state1 (StateOne const &) –

  • state2 (StateOne const &) –

  • kappa (int) –

  • q (int) –

  • selectionRulesMultipoleNew(state1

  • state2

  • -> bool (kappa)) –

  • state1

  • state2

  • kappa

pairinteraction.pireal module

Backend for real matrices

pairinteraction.pireal.HypergeometricU(a, b, z) → double[source]
Parameters
  • a (double) –

  • b (double) –

  • z (double) –

class pairinteraction.pireal.MatrixElementCache(self)MatrixElementCache[source]

Bases: object

__init__(self, cachedir) -> MatrixElementCache

Parameters

cachedir (std::string const &) –

getDefectDB(self) → std::string const &[source]
getDiamagnetism(self, state_row, state_col, k) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • k (int) –

getElectricDipole(self, state_row, state_col) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getElectricMultipole(self, state_row, state_col, k) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • k (int) –

  • getElectricMultipole(self

  • state_row

  • state_col

  • kappa_radial (int) –

  • -> double (kappa_angular)) –

  • state_row

  • state_col

  • kappa_radial

  • kappa_angular (int) –

getMagneticDipole(self, state_row, state_col) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getRadial(self, state_row, state_col, kappa) → double[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • kappa (int) –

loadElectricDipoleDB(self, path, species)[source]
Parameters
  • path (std::string const &) –

  • species (std::string const &) –

precalculateDiamagnetism(self, basis_one, k, q)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • k (int) –

  • q (int) –

precalculateElectricMomentum(self, basis_one, q)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • q (int) –

precalculateMagneticMomentum(self, basis_one, q)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • q (int) –

precalculateMultipole(self, basis_one, k)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • k (int) –

precalculateRadial(self, basis_one, k)[source]
Parameters
  • basis_one (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • k (int) –

setDefectDB(self, path)[source]
Parameters

path (std::string const &) –

setMethod(self, m)[source]
Parameters

m (method_t const &) –

size(self) → size_t[source]
property thisown

The membership flag

class pairinteraction.pireal.Numerov(self, qd)Numerov[source]

Bases: object

Parameters

qd (QuantumDefect const &) –

integrate(self) → eigen_dense_double_t[source]
static power_kernel(power) → int[source]
Parameters

power (int) –

property thisown

The membership flag

pairinteraction.pireal.Numerov_power_kernel(power) → int[source]
Parameters

power (int) –

class pairinteraction.pireal.PerturbativeInteraction(self, cache)PerturbativeInteraction[source]

Bases: object

Parameters
  • cache (MatrixElementCache &) –

  • __init__(self

  • angle (double) –

  • -> PerturbativeInteraction (cache)) –

  • angle

  • cache

getC3(self, states) → eigen_dense_double_t[source]
Parameters

states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getC6(self, state, deltaN) → double[source]
Parameters
  • state (StateTwo const &) –

  • deltaN (double) –

  • getC6(self

  • states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

  • -> eigen_dense_double_t (deltaN)) –

  • states

  • deltaN

getEnergy(self, states) → eigen_dense_double_t[source]
Parameters

states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

property thisown

The membership flag

class pairinteraction.pireal.QuantumDefect(self, species, n, l, j)QuantumDefect[source]

Bases: object

Parameters
  • species (std::string const &) –

  • n (int) –

  • l (int) –

  • j (double) –

  • __init__(self

  • species

  • n

  • l

  • j

  • -> QuantumDefect (database)) –

  • species

  • n

  • l

  • j

  • database (std::string const &) –

property Z
property a1
property a2
property a3
property a4
property ac
property energy
property j
property l
property n
property nstar
property rc
property species
property thisown

The membership flag

pairinteraction.pireal.RadialWFWhittaker(r, nu, l) → double[source]
Parameters
  • r (double) –

  • nu (double) –

  • l (int) –

class pairinteraction.pireal.StateOne(self)StateOne[source]

Bases: object

__init__(self, species, n, l, j, m) -> StateOne

Parameters
  • species (std::string) –

  • n (int) –

  • l (int) –

  • j (float) –

  • m (float) –

  • __init__(self

  • -> StateOne (label)) –

  • label (std::string) –

getElement(self) → std::string const &[source]
getEnergy(self) → double[source]

getEnergy(self, cache) -> double

Parameters

cache (MatrixElementCache &) –

getHash(self) → size_t const &[source]
getJ(self) → float const &[source]
getL(self) → int const &[source]
getLabel(self) → std::string const &[source]
getM(self) → float const &[source]
getN(self) → int const &[source]
getNStar(self) → double[source]

getNStar(self, cache) -> double

Parameters

cache (MatrixElementCache &) –

getReflected(self)StateOne[source]
getS(self) → float const &[source]
getSpecies(self) → std::string const &[source]
isArtificial(self) → bool[source]
isGeneralized(self) → bool[source]
str(self) → std::string[source]
property thisown

The membership flag

class pairinteraction.pireal.StateTwo(self)StateTwo[source]

Bases: object

__init__(self, species, n, l, j, m) -> StateTwo

Parameters
  • species (std::array< std::string,2 >) –

  • n (std::array< int,2 >) –

  • l (std::array< int,2 >) –

  • j (std::array< float,2 >) –

  • m (std::array< float,2 >) –

  • __init__(self

  • -> StateTwo (second_state)) –

  • label (std::array< std::string,2 >) –

  • __init__(self

  • first_state (StateOne) –

  • -> StateTwo

  • first_state

  • second_state (StateOne) –

getElement(self) → ArrayStringTwo[source]

getElement(self, idx) -> std::string const &

Parameters

idx (int) –

getEnergy(self) → double[source]

getEnergy(self, cache) -> double

Parameters
  • cache (MatrixElementCache &) –

  • getEnergy(self

  • -> double (cache)) –

  • idx (int) –

  • getEnergy(self

  • idx

  • -> double

  • idx

  • cache

getFirstState(self)StateOne[source]
getHash(self) → size_t const &[source]
getJ(self) → ArrayFloatTwo[source]

getJ(self, idx) -> float const &

Parameters

idx (int) –

getL(self) → ArrayIntTwo[source]

getL(self, idx) -> int const &

Parameters

idx (int) –

getLabel(self) → ArrayStringTwo[source]

getLabel(self, idx) -> std::string const &

Parameters

idx (int) –

getLeRoyRadius(self, cache) → double[source]
Parameters

cache (MatrixElementCache &) –

getM(self) → ArrayFloatTwo[source]

getM(self, idx) -> float const &

Parameters

idx (int) –

getN(self) → ArrayIntTwo[source]

getN(self, idx) -> int const &

Parameters

idx (int) –

getNStar(self) → ArrayDoubleTwo[source]

getNStar(self, cache) -> ArrayDoubleTwo

Parameters
  • cache (MatrixElementCache &) –

  • getNStar(self

  • -> double (cache)) –

  • idx (int) –

  • getNStar(self

  • idx

  • -> double

  • idx

  • cache

getReflected(self)StateTwo[source]
getS(self) → ArrayFloatTwo[source]

getS(self, idx) -> float const &

Parameters

idx (int) –

getSecondState(self)StateOne[source]
getSpecies(self) → ArrayStringTwo[source]

getSpecies(self, idx) -> std::string const &

Parameters

idx (int) –

isArtificial(self) → ArrayBoolTwo[source]

isArtificial(self, idx) -> bool

Parameters

idx (int) –

isGeneralized(self) → ArrayBoolTwo[source]

isGeneralized(self, idx) -> bool

Parameters

idx (int) –

str(self) → std::string[source]
property thisown

The membership flag

class pairinteraction.pireal.Symmetry(self)Symmetry[source]

Bases: object

property inversion
property permutation
property reflection
property rotation
property thisown

The membership flag

class pairinteraction.pireal.SystemOne(self, species, cache)SystemOne[source]

Bases: pairinteraction.pireal._SystemStateOne

Parameters
  • species (std::string) –

  • cache (MatrixElementCache &) –

  • __init__(self

  • species

  • cache

  • -> SystemOne (other)) –

  • species

  • cache

  • memory_saving (bool) –

  • __init__(self

  • -> SystemOne

  • other (SystemOne const &) –

add(self, system)
Parameters

system (SystemBase< StateOne > &) –

addHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

addStates(self, s)
Parameters
  • s (std::set< StateOne,std::less< StateOne >,std::allocator< StateOne > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)
Parameters

system0 (SystemBase< StateOne > &) –

buildBasis(self)
buildHamiltonian(self)
buildInteraction(self)
canonicalize(self)
constrainBasisvectors(self, indices_of_wanted_basisvectors)
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

enableDiamagnetism(self, enable)[source]
Parameters

enable (bool) –

forgetStatemixing(self)
getBasisvectorIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateOne const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getBasisvectors(self) → eigen_sparse_t &
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo
Parameters
  • system_to (SystemBase< StateOne > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &
getHamiltonianEntry(self, state_row, state_col) → scalar_t
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getMainStates(self) → VectorStateOne
getNumBasisvectors(self) → size_t
getNumStates(self) → size_t
getOverlap(self, generalizedstate) → eigen_vector_double_t
Parameters
  • generalizedstate (StateOne const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getSpecies(self) → std::string const &[source]
getStateIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateOne const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getStates(self) → VectorStateOne
getStatesMultiIndex(self) → states_set< StateOne >::type const &
restrictEnergy(self, e_min, e_max)
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setBfield(self, field)[source]
Parameters
  • field (std::array< double,3 >) –

  • setBfield(self

  • field

  • to_z_axis (std::array< double,3 >) –

  • to_y_axis)

  • field

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • setBfield(self

  • field

  • alpha (double) –

  • beta (double) –

  • gamma)

  • field

  • alpha

  • beta

  • gamma (double) –

setConservedMomentaUnderRotation(self, momenta)[source]
Parameters

momenta (std::set< float,std::less< float >,std::allocator< float > > const &) –

setConservedParityUnderReflection(self, parity)[source]
Parameters

parity (enum parity_t) –

setEfield(self, field)[source]
Parameters
  • field (std::array< double,3 >) –

  • setEfield(self

  • field

  • to_z_axis (std::array< double,3 >) –

  • to_y_axis)

  • field

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • setEfield(self

  • field

  • alpha (double) –

  • beta (double) –

  • gamma)

  • field

  • alpha

  • beta

  • gamma (double) –

setHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

setIonCharge(self, c)[source]
Parameters

c (int) –

setMinimalNorm(self, threshold)
Parameters

threshold (double const &) –

setRydIonDistance(self, d)[source]
Parameters

d (double) –

setRydIonOrder(self, o)[source]
Parameters

o (unsigned int) –

property thisown

The membership flag

unitarize(self)
class pairinteraction.pireal.SystemTwo(self, b1, b2, cache)SystemTwo[source]

Bases: pairinteraction.pireal._SystemStateTwo

Parameters
  • b1 (SystemOne const &) –

  • b2 (SystemOne const &) –

  • cache (MatrixElementCache &) –

  • __init__(self

  • b1

  • b2

  • cache

  • -> SystemTwo (other)) –

  • b1

  • b2

  • cache

  • memory_saving (bool) –

  • __init__(self

  • -> SystemTwo

  • other (SystemTwo const &) –

add(self, system)
Parameters

system (SystemBase< StateTwo > &) –

addHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

addStates(self, s)
Parameters
  • s (std::set< StateTwo,std::less< StateTwo >,std::allocator< StateTwo > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)
Parameters

system0 (SystemBase< StateTwo > &) –

buildBasis(self)
buildHamiltonian(self)
buildInteraction(self)
canonicalize(self)
constrainBasisvectors(self, indices_of_wanted_basisvectors)
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

enableGreenTensor(self, GTboolean)[source]
Parameters

GTboolean (bool) –

forgetStatemixing(self)
getBasisvectorIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateTwo const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getBasisvectors(self) → eigen_sparse_t &
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo
Parameters
  • system_to (SystemBase< StateTwo > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &
getHamiltonianEntry(self, state_row, state_col) → scalar_t
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

getMainStates(self) → VectorStateTwo
getNumBasisvectors(self) → size_t
getNumStates(self) → size_t
getOverlap(self, generalizedstate) → eigen_vector_double_t
Parameters
  • generalizedstate (StateTwo const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getSpecies(self) → ArrayStringTwo[source]
getStateIndex(self, searched_state) → size_t
Parameters
  • searched_state (StateTwo const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getStates(self) → VectorStateTwo
getStatesFirst(self) → VectorStateOne[source]
getStatesMultiIndex(self) → states_set< StateTwo >::type const &
getStatesSecond(self) → VectorStateOne[source]
restrictEnergy(self, e_min, e_max)
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setAngle(self, a)[source]
Parameters

a (double) –

setConservedMomentaUnderRotation(self, momenta)[source]
Parameters

momenta (std::set< int,std::less< int >,std::allocator< int > > const &) –

setConservedParityUnderInversion(self, parity)[source]
Parameters

parity (enum parity_t) –

setConservedParityUnderPermutation(self, parity)[source]
Parameters

parity (enum parity_t) –

setConservedParityUnderReflection(self, parity)[source]
Parameters

parity (enum parity_t) –

setDistance(self, d)[source]
Parameters

d (double) –

setDistanceVector(self, d)[source]
Parameters

d (std::array< double,3 >) –

setHamiltonianEntry(self, state_row, state_col, value)
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

setMinimalNorm(self, threshold)
Parameters

threshold (double const &) –

setOneAtomBasisvectors(self, indices)[source]
Parameters

indices (std::vector< std::array< size_t,2 >,std::allocator< std::array< size_t,2 > > > const &) –

setOrder(self, o)[source]
Parameters

o (double) –

setSurfaceDistance(self, d)[source]
Parameters

d (double) –

property thisown

The membership flag

unitarize(self)
pairinteraction.pireal.V(qd, x) → double[source]
Parameters
  • qd (QuantumDefect const &) –

  • x (double) –

class pairinteraction.pireal.Whittaker(self, qd)Whittaker[source]

Bases: object

Parameters

qd (QuantumDefect const &) –

integrate(self) → eigen_dense_double_t[source]
static power_kernel(power) → double[source]
Parameters

power (int) –

property thisown

The membership flag

pairinteraction.pireal.WhittakerW(k, m, z) → double[source]
Parameters
  • k (double) –

  • m (double) –

  • z (double) –

pairinteraction.pireal.Whittaker_power_kernel(power) → double[source]
Parameters

power (int) –

class pairinteraction.pireal.WignerD(self)WignerD[source]

Bases: object

property thisown

The membership flag

class pairinteraction.pireal._SwigNonDynamicMeta[source]

Bases: type

Meta class to enforce nondynamic attributes (no new attributes) for a class

mro()

Return a type’s method resolution order.

class pairinteraction.pireal._SystemStateOne(*args, **kwargs)[source]

Bases: object

Proxy of C++ SystemBase< StateOne > class.

add(self, system)[source]
Parameters

system (SystemBase< StateOne > &) –

addHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

addStates(self, s)[source]
Parameters
  • s (std::set< StateOne,std::less< StateOne >,std::allocator< StateOne > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)[source]
Parameters

system0 (SystemBase< StateOne > &) –

buildBasis(self)[source]
buildHamiltonian(self)[source]
buildInteraction(self)[source]
canonicalize(self)[source]
constrainBasisvectors(self, indices_of_wanted_basisvectors)[source]
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)[source]
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

forgetStatemixing(self)[source]
getBasisvectorIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateOne const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getBasisvectors(self) → eigen_sparse_t &[source]
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo[source]
Parameters
  • system_to (SystemBase< StateOne > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &[source]
getHamiltonianEntry(self, state_row, state_col) → scalar_t[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

getMainStates(self) → VectorStateOne[source]
getNumBasisvectors(self) → size_t[source]
getNumStates(self) → size_t[source]
getOverlap(self, generalizedstate) → eigen_vector_double_t[source]
Parameters
  • generalizedstate (StateOne const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateOne,std::allocator< StateOne > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getStateIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateOne const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateOne,std::allocator< StateOne > > const &) –

getStates(self) → VectorStateOne[source]
getStatesMultiIndex(self) → states_set< StateOne >::type const &[source]
restrictEnergy(self, e_min, e_max)[source]
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)[source]
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)[source]
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)[source]
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)[source]
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)[source]
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateOne const &) –

  • state_col (StateOne const &) –

  • value (scalar_t) –

setMinimalNorm(self, threshold)[source]
Parameters

threshold (double const &) –

property thisown

The membership flag

unitarize(self)[source]
class pairinteraction.pireal._SystemStateTwo(*args, **kwargs)[source]

Bases: object

Proxy of C++ SystemBase< StateTwo > class.

add(self, system)[source]
Parameters

system (SystemBase< StateTwo > &) –

addHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

addStates(self, s)[source]
Parameters
  • s (std::set< StateTwo,std::less< StateTwo >,std::allocator< StateTwo > > const &) –

  • addStates(self

  • s)

  • s

applySchriefferWolffTransformation(self, system0)[source]
Parameters

system0 (SystemBase< StateTwo > &) –

buildBasis(self)[source]
buildHamiltonian(self)[source]
buildInteraction(self)[source]
canonicalize(self)[source]
constrainBasisvectors(self, indices_of_wanted_basisvectors)[source]
Parameters

indices_of_wanted_basisvectors (std::vector< size_t,std::allocator< size_t > >) –

diagonalize(self, energy_lower_bound, energy_upper_bound)[source]
Parameters
  • energy_lower_bound (double) –

  • energy_upper_bound (double) –

  • diagonalize(self

  • energy_lower_bound

  • energy_upper_bound

  • threshold)

  • energy_lower_bound

  • energy_upper_bound

  • threshold (double) –

  • diagonalize(self)

  • diagonalize(self

  • threshold)

  • threshold

forgetStatemixing(self)[source]
getBasisvectorIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateTwo const &) –

  • getBasisvectorIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getBasisvectors(self) → eigen_sparse_t &[source]
getConnections(self, system_to, threshold) → ArrayVectorSizeTTwo[source]
Parameters
  • system_to (SystemBase< StateTwo > &) –

  • threshold (double) –

getHamiltonian(self) → eigen_sparse_t &[source]
getHamiltonianEntry(self, state_row, state_col) → scalar_t[source]
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

getMainStates(self) → VectorStateTwo[source]
getNumBasisvectors(self) → size_t[source]
getNumStates(self) → size_t[source]
getOverlap(self, generalizedstate) → eigen_vector_double_t[source]
Parameters
  • generalizedstate (StateTwo const &) –

  • getOverlap(self

  • -> eigen_vector_double_t (gamma)) –

  • generalizedstates (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • state_index (size_t const &) –

  • getOverlap(self

  • -> eigen_vector_double_t

  • states_indices (std::vector< size_t,std::allocator< size_t > > const &) –

  • getOverlap(self

  • generalizedstate

  • to_z_axis (std::array< double,3 >) –

  • -> eigen_vector_double_t

  • generalizedstate

  • to_z_axis

  • to_y_axis (std::array< double,3 >) –

  • getOverlap(self

  • generalizedstates

  • to_z_axis

  • -> eigen_vector_double_t

  • generalizedstates

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • state_index

  • to_z_axis

  • -> eigen_vector_double_t

  • state_index

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • states_indices

  • to_z_axis

  • -> eigen_vector_double_t

  • states_indices

  • to_z_axis

  • to_y_axis

  • getOverlap(self

  • generalizedstate

  • alpha (double) –

  • beta (double) –

  • -> eigen_vector_double_t

  • generalizedstate

  • alpha

  • beta

  • gamma (double) –

  • getOverlap(self

  • state_index

  • alpha

  • beta

  • -> eigen_vector_double_t

  • state_index

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • generalizedstates

  • alpha

  • beta

  • -> eigen_vector_double_t

  • generalizedstates

  • alpha

  • beta

  • gamma

  • getOverlap(self

  • states_indices

  • alpha

  • beta

  • -> eigen_vector_double_t

  • states_indices

  • alpha

  • beta

  • gamma

getStateIndex(self, searched_state) → size_t[source]
Parameters
  • searched_state (StateTwo const &) –

  • getStateIndex(self

  • -> VectorSizeT (searched_states)) –

  • searched_states (std::vector< StateTwo,std::allocator< StateTwo > > const &) –

getStates(self) → VectorStateTwo[source]
getStatesMultiIndex(self) → states_set< StateTwo >::type const &[source]
restrictEnergy(self, e_min, e_max)[source]
Parameters
  • e_min (double) –

  • e_max (double) –

restrictJ(self, j_min, j_max)[source]
Parameters
  • j_min (float) –

  • j_max (float) –

  • restrictJ(self

  • j)

  • j (std::set< float,std::less< float >,std::allocator< float > >) –

restrictL(self, l_min, l_max)[source]
Parameters
  • l_min (int) –

  • l_max (int) –

  • restrictL(self

  • l)

  • l (std::set< int,std::less< int >,std::allocator< int > >) –

restrictM(self, m_min, m_max)[source]
Parameters
  • m_min (float) –

  • m_max (float) –

  • restrictM(self

  • m)

  • m (std::set< float,std::less< float >,std::allocator< float > >) –

restrictN(self, n_min, n_max)[source]
Parameters
  • n_min (int) –

  • n_max (int) –

  • restrictN(self

  • n)

  • n (std::set< int,std::less< int >,std::allocator< int > >) –

rotate(self, to_z_axis, to_y_axis)[source]
Parameters
  • to_z_axis (std::array< double,3 >) –

  • to_y_axis (std::array< double,3 >) –

  • rotate(self

  • alpha (double) –

  • beta (double) –

  • gamma)

  • alpha

  • beta

  • gamma (double) –

setHamiltonianEntry(self, state_row, state_col, value)[source]
Parameters
  • state_row (StateTwo const &) –

  • state_col (StateTwo const &) –

  • value (scalar_t) –

setMinimalNorm(self, threshold)[source]
Parameters

threshold (double const &) –

property thisown

The membership flag

unitarize(self)[source]
pairinteraction.pireal._swig_add_metaclass(metaclass)[source]

Class decorator for adding a metaclass to a SWIG wrapped class - a slimmed down version of six.add_metaclass

pairinteraction.pireal.compute(config_name, output_name) → int[source]
Parameters
  • config_name (std::string const &) –

  • output_name (std::string const &) –

pairinteraction.pireal.energy_level(species, n, l, j, database='') → double[source]
Parameters
  • species (std::string const &) –

  • n (int) –

  • l (int) –

  • j (double) –

  • database (std::string const &) –

pairinteraction.pireal.g(qd, x) → double[source]
Parameters
  • qd (QuantumDefect const &) –

  • x (double) –

pairinteraction.pireal.nstar(species, n, l, j, database='') → double[source]
Parameters
  • species (std::string const &) –

  • n (int) –

  • l (int) –

  • j (double) –

  • database (std::string const &) –

pairinteraction.pireal.selectionRulesMomentumNew(state1, state2, q) → bool[source]
Parameters
  • state1 (StateOne const &) –

  • state2 (StateOne const &) –

  • q (int) –

  • selectionRulesMomentumNew(state1

  • -> bool (state2)) –

  • state1

  • state2

pairinteraction.pireal.selectionRulesMultipoleNew(state1, state2, kappa, q) → bool[source]
Parameters
  • state1 (StateOne const &) –

  • state2 (StateOne const &) –

  • kappa (int) –

  • q (int) –

  • selectionRulesMultipoleNew(state1

  • state2

  • -> bool (kappa)) –

  • state1

  • state2

  • kappa

Module contents