Namespace List

Here is a list of all documented namespaces with brief descriptions:

[detail level 12]

▼NAdamsMoulton	Contains classes and functions which use general N-step Adams Moulton method to solve systems of 2x2 ODEs, up to N=12
CAM_Coefs	Holds the K+1 Adams-Moulton ak coefficients for the K-step AM method. Final one, aK, is stored separately
CDerivativeMatrix	Pure-virtual struct, holds the derivative matrix for 2x2 system of ODEs. Derive from this, and implement a(t),b(t),c(t),d(t) to define the 2x2 ODE
CODESolver2D	Solves a 2D system of ODEs using a K-step Adams-Moulton method
▼NAngular	Angular provides functions and classes for calculating and storing angular factors (3,6,9-J symbols etc.)
CCkTable	Lookup table for C^k and 3j symbols (special m=1/2, q=0 case)
CSixJTable	Lookup table for Wigner 6J symbols
▼NAtomData	Useful atomic data/functions
CDiracConfig	Stores relativistic single-electron state {n, kappa, energy}
CElement	Atomic element data: Z, symbol, A, name
CNonRelConfig	Stores non-relativistic single-electron config: {n, l, number}
▼NCI	Functions and classes for Configuration Interaction calculations
CConfigInfo	Basic configuration info for each CI level solution
CCSF2	Very basic two-electron CSF. Only two-electron is implemented
CPsiJPi	Stores the CI Solutions for given J and parity (only two-electron)
▼NCoulomb	Functions (+classes) for computing Coulomb integrals
CCoulombTable	Base (pure virtual) class to store Coulomb integrals, and similar. 3 derived classes, which account for symmetry
CmeTable	Look-up table for matrix elements. Note: does not assume any symmetry: (a,b) is stored independantly of (b,a). In general, maps a pair of DiracSpinors to a single value (of any type, T)
CYkTable	Calculates + stores Hartree Y functions + Angular (w/ look-up), taking advantage of symmetry
NDiracHydrogen	Exact relativistic hydrogen-like (Coulomb) wavefuntions
▼NDiracODE	Functions and classes used to solve the Dirac equation
CAsymptoticSpinor	Performs asymptotic expansion for f and g at large r, up to order Nx in (1/r)
CDiracContinuumDerivative	Derivative function for H-like; valid for continuum states at large r
▼NDiracOperator	Dirac Operators: General + derived
NHyperfine	Functions for F(r) [nuclear magnetisation distribution] and similar
Cdr	Radial derivative operator
CE1	Electric dipole operator: -|e|r = -er
CE1v	Electric dipole operator, v-form: \( \frac{ie}{\omega \alpha} \vec{\alpha}\)
CEk	E^k (electric multipole) operator
Cfieldshift	Field shift operator, (e.g.) dV = V(r+dr) - V(r)
Cg0jL	Matrix element of tensor operator: gamma^0 J_L(qr) C^L
Chfs	Units: Assumes g in nuc. magneton units (magnetic), and Q in barns (electric), and rN is atomic units
Cig0g5jL	Matrix element of tensor operator: i gamma^0gamma^5 J_L(qr) C^L. nb: i makes ME real
Cig5jL	Matrix element of tensor operator: i gamma^5 J_L(qr) C^L. nb: i makes ME real
CIntM4x4	4x4 Integer matrix (for Gamma/Pauli). Can be real or imag. Not mixed
Cj	J (total angular momentum) operator
CjL	Matrix element of tensor operator: J_L(qr)*C^L
Cl	L (orbital angular momentum) operator
CM1	Magnetic dipole operator: <a||M1||b>
CM1nr	Magnetic dipole operator, in non-relativistic form: M1 = L + 2S
CMLVP	Magnetic loop vacuum polarisation (Uehling vertex)
CNullOperator	Speacial operator: 0
CPNCnsi	Nuclear-spin independent PNC operator (Qw)
CRadialF	General function of r, even scalar operator
Cs	S (spin) operator
CScalarOperator	Speacial case for scalar operator
CTensorOperator	General operator (virtual base class); operators derive from this
CVertexQED	Effective VertexQED operator
CVrad	Flambaum-ginges radiative potential operator
▼NExternalField	Calculates many-body corrections (RPA) to matrix elements of external field
CCorePolarisation	Virtual Core Polarisation class, for <a||dV||b>. See TDHF, DiagramRPA, etc
CDiagramRPA	RPA correction to matrix elements, using Diagram technique
CDiagramRPA0_jL	RPA correction to matrix elements, using Diagram technique
CMEdata	Small struct to store calculated matrix elements
CTDHF	Uses time-dependent Hartree-Fock method to include core-polarisation (RPA) corrections to matrix elements of some external field operator
CTDHFbasis	Similar to the time-dependent Hartree-Fock method, but expands dPsi corrections using a basis to include core-polarisation (RPA) corrections to matrix elements of some external field operator
▼NFGRP	Flambaum-Ginges Radiative potential
NFit	Fitting factors from Ginges Berengut, Phys. Rev. A 93, 052509 (2016)
▼NHF	Functions and classes for Hartree-Fock
CBreit	Breit (Hartree-Fock Breit) interaction potential
CEpsIts	Small struct to store: {eps, its, symbol}. eps=convergence; its=iterations; symbol=which state. May be sorted (by eps)
CHartreeFock	Solves relativistic Hartree-Fock equations for core and valence. Optionally includes Breit and QED effects. Can include Sigma (correlations) for valence states. Class stores nuc. and direct potentials, a set of yk integrals, and QED potential. Stores the core orbitals
▼NInterpolator	Interpolates functions using cubic splines. Uses GSL: https://www.gnu.org/software/gsl/doc/html/interp.html
CInterp	Performs interpolation using GSL (GNU Scientific Library)
▼NIO	In-out (timers, profilers, and read/write data)
NFRW
CInputBlock	Holds list of Options, and a list of other InputBlocks. Can be initialised with a list of options, with a string, or from a file (ifstream). Format for input is, e.g.,:
CIsVector	Class to determine if a class template in vector
COption	Simple struct; holds key-value pair, both strings. == compares key
▼NLinAlg	Defines Matrix, Vector classes, and linear some algebra functions
CMatrix	Matrix class; row-major
CVector	Vector class (inherits from Matrix)
CView	Proved a "view" onto an array
Nman	Man page info
▼NMBPT	Many-body perturbation theory
CFeynman	Class to construct Feynman diagrams, Green's functions and polarisation op
CGoldstone	Class to construct Feynman diagrams, Green's functions and polarisation op
CRDMatrix
CStructureRad	Calculates Structure Radiation + Normalisation of states, using diagram method
NModule	Modules are run using calculated atomic wavefunctions
▼NNuclear	Data and useful functions for nuclear properties and potentials. Radii all in Fermi (fm, e-15m) from Nuclear Data Service: https://www-nds.iaea.org/
CIsotope	Isotope data: Z, A, r_rms/fm, I, pi, mu, Q
CNucleus	Stores set of nuclear parameters (all radii in fm)
NNumCalc	Numerical integration and differentiation. Bit of a mess right now.
NParametric	Set of two-parameter parametric electron potentials
NPhysConst	Set of commonly-used Physics constants
▼Nqip	Qip library: A collection of useful functions
Noverloads	Namespace qip::overloads provides operator overloads for std::vector
CArithmetic	Helper template for Arithmetic operations. Derive from this to provide +,-,*,/, given +=, -=, *=, /=
CArithmetic2	Helper template for Arithmetic operations. Derive from this to provide +,-,*,/, given +=, -=, *=, /=. Works for two different types
CArrayView	A view onto a 1D array; used for rows/collumns of ND array. Can have a stride
CComparison	Helper template for comparisons. Derive from this to provide !=,>,<=,>=, given == and <
CConstStrideIterator	A constant iterator accounting for a stride
Cless_abs	Function object for performing comparisons of absolute values (uses std::abs). Works similarly to std::less
CStrideIterator	An iterator accounting for a stride
CStrongType	A light-weight easy-to-use single-file header-only template class for strong typing
NSphericalBessel	Wrappers for returning Spherical Bessel functions
NSplineBasis	Constucts of spinor/orbital basis using B-splines (DKB/Reno/Derevianko-Beloy method)
Nversion	Information about the ampsci code (version, compiler etc.)