Index

A

angularMomentum (C++ function) angularMomentumKernel (C++ function)

arr2d (C++ type) arr3d (C++ type) arr4d (C++ type)

B

basis_atoms_t (C++ type) basis_shells_t (C++ type) BasisAtom (C++ struct) BasisAtom::atomic_nr_ (C++ member) BasisAtom::basis_shells_ (C++ member) basisForAtom (C++ function)

basisForAtomAux (C++ function) basisForAtoms (C++ function) basisForAtomsAux (C++ function) BasisShell (C++ struct) BasisShell::coeffs_ (C++ member) BasisShell::exps_ (C++ member) BasisShell::l_ (C++ member)

C

cg_sigma_t (C++ type) CGResults (C++ struct) CGResults::converged_ (C++ member) CGResults::max_abs_residuals_ (C++ member) CGResults::n_iter_ (C++ member)

CGResults::solution_ (C++ member) CGSettings (C++ struct) CGSettings::conv_tol_ (C++ member) CGSettings::max_iter_ (C++ member) conjugateGradient (C++ function)

D

dipoleMoment (C++ function)

dipoleMomentKernel (C++ function)

E

eri2Diagonal (C++ function) eri3 (C++ function) eri4 (C++ function) eri4Diagonal (C++ function) externalCharges (C++ function) externalChargesD1Kernel (C++ function)

externalChargesErf (C++ function) externalChargesErfD1Kernel (C++ function) externalChargesErfKernel (C++ function) externalChargesKernel (C++ function) externalChargesOperatorD1Kernel (C++ function) externalChargesOperatorErfD1Kernel (C++ function)

F

Fill (C++ struct)

Fill::Fill (C++ function) Fill::val_ (C++ member)

K

kineticEnergy (C++ function)

kineticEnergyD1Kernel (C++ function) kineticEnergyKernel (C++ function)

M

momentum (C++ function)

momentumKernel (C++ function)

N

nuclearAttraction (C++ function)

nuclearAttractionErf (C++ function)

O

overlap (C++ function)

overlapD1Kernel (C++ function) overlapKernel (C++ function)

P

pcg_preconditioner_t (C++ type) potentialAtExternalChargesErfKernel (C++ function) potentialAtExternalChargesKernel (C++ function)

preconditionedCG (C++ function) pVpIntegrals (C++ function) pVpKernel (C++ function)

S

Shell (C++ struct) Shell::coeffs_ (C++ member) Shell::dim_cart_ (C++ member) Shell::dim_sph_ (C++ member) Shell::exps_ (C++ member) Shell::idx_ (C++ member) Shell::idx_atom_ (C++ member) Shell::l_ (C++ member) Shell::norms_ (C++ member)

Shell::norms_prim_ (C++ member) Shell::ofs_cart_ (C++ member) Shell::ofs_sph_ (C++ member) Shell::xyz_coords_ (C++ member) Shell::z_ (C++ member) ShellData (C++ struct) ShellPairData (C++ struct) sphericalTrafo (C++ function) spinOrbitCoupling1El (C++ function) spinOrbitCoupling1ElKernel (C++ function)

V

vec2d (C++ type) vec3d (C++ type) vec3i (C++ type) vec4d (C++ type) VectorMD (C++ class) VectorMD::begin (C++ function) VectorMD::dim (C++ function) VectorMD::end (C++ function) VectorMD::getBlockSizes (C++ function) VectorMD::getData (C++ function) VectorMD::getDimensions (C++ function) VectorMD::memptr (C++ function), [1]

VectorMD::operator() (C++ function), [1] VectorMD::operator* (C++ function), [1] VectorMD::operator*= (C++ function) VectorMD::operator+ (C++ function) VectorMD::operator- (C++ function) VectorMD::operator== (C++ function) VectorMD::operator[] (C++ function), [1] VectorMD::resize (C++ function), [1] VectorMD::set (C++ function) VectorMD::size (C++ function) VectorMD::VectorMD (C++ function), [1], [2], [3] vecvec (C++ type)