qpms Directory Reference

Files
file	beyn.h [code]
	Beyn's algorithm for nonlinear eigenvalue problems.
file	drudeparam_data.c
	Lorentz-Drude model parameters for various materials permittivity.
file	ewald.h [code]
	Lattice sums of spherical waves.
file	gaunt.h [code]
	Gaunt coefficients (integrals over three spherical harmonics).
file	groups.h [code]
	Point groups.
file	indexing.h [code]
	Various index conversion functions.
file	kahansum.h [code]
	Inline functions providing Kahan summation.
file	lattices.h [code]
	Lattice point generators and lattice vector analysis / transformation.
file	materials.h [code]
	Optical properties of materials.
file	normalisation.h [code]
	Convention-dependent coefficients for VSWFs.
file	optim.h [code]
	Macros for compiler optimisation.
file	oshacks.h [code]
	Some platform-dependent functions.
file	parsing.h [code]
	Some custom string conversions.
file	pointgroups.h [code]
	Quaternion-represented 3D point groups.
file	qpms_error.h [code]
	QPMS miscellanous internal error handling functions and macros.
file	qpms_specfunc.h [code]
	Various special and auxillary functions.
file	qpms_types.h [code]
	Common qpms types.
file	qpmsblas.h [code]
	Naïve implementation of BLAS functions to workaround OpenBLAS bugs.
file	quaternions.h [code]
	Quaternions and Wigner matrices.
file	scatsystem.h [code]
	Modern interface for finite lattice calculations, including symmetries.
file	symmetries.h [code]
	Functions providing point group operations operating on translation operators and T-matrices.
file	tiny_inlines.h [code]
	Simple but frequently used inline functions and macros.
file	tmatrices.h [code]
	T-matrices for scattering systems.
file	tolerances.h [code]
file	translations.h [code]
	VSWF translation operator.
file	vectors.h [code]
	Coordinate transforms and vector arithmetics.
file	vswf.h [code]
	Vector spherical wavefunctions.