Index

A | C | D | E | G | H | I | L | M | N | O | P | R | S | T | U | V | W

A

AnisotropicLiquid (C++ class)
AnisotropicLiquid::AnisotropicLiquid (C++ function), [1]
AnisotropicLiquid::doubleLayer (C++ function)
AnisotropicLiquid::kernelD_impl (C++ function)
AnisotropicLiquid::operator() (C++ function)
AnisotropicLiquid::singleLayer (C++ function)
Area
Atom (C++ class)
Atom::charge (C++ member)
Atom::element (C++ member)
Atom::mass (C++ member)
Atom::position (C++ member)
Atom::radius (C++ member)
Atom::radiusScaling (C++ member)
Atom::symbol (C++ member)
Atoms

C

Cavity (C++ class)
Cavity::built (C++ member)
Cavity::Cavity (C++ function), [1], [2], [3]
Cavity::elementArea_ (C++ member)
Cavity::elementCenter_ (C++ member)
Cavity::elementNormal_ (C++ member)
Cavity::elementRadius_ (C++ member)
Cavity::elements_ (C++ member)
Cavity::elementSphereCenter_ (C++ member)
Cavity::loadCavity (C++ function)
Cavity::makeCavity (C++ function)
Cavity::molecule_ (C++ member)
Cavity::nElements_ (C++ member)
Cavity::nIrrElements_ (C++ member)
Cavity::nSpheres_ (C++ member)
Cavity::pointGroup_ (C++ member)
Cavity::saveCavity (C++ function)
Cavity::sphereCenter_ (C++ member)
Cavity::sphereRadius_ (C++ member)
Cavity::spheres_ (C++ member)
Center
cnpy (C++ type)
cnpy::custom (C++ type)
cnpy::custom::npy_load (C++ function)
cnpy::custom::npy_save (C++ function)
cnpy::custom::npy_to_eigen (C++ function)
cnpy::custom::npz_save (C++ function)
CODATA
Correction
CPCMSolver (C++ class)
CPCMSolver::blockPCMMatrix_ (C++ member)
CPCMSolver::buildSystemMatrix_impl (C++ function)
CPCMSolver::computeCharge_impl (C++ function)
CPCMSolver::correction_ (C++ member)
CPCMSolver::CPCMSolver (C++ function)
CPCMSolver::fullPCMMatrix_ (C++ member)
CPCMSolver::hermitivitize_ (C++ member)

D

Der
DiagonalIntegrator
DiagonalScaling

E

Eps
Eps1
Eps2
EpsDyn
EpsDyn1
EpsDyn2
eulerRotation (C++ function)

G

Geometry
GePolCavity (C++ class)
GePolCavity::build (C++ function)
GePolCavity::makeCavity (C++ function)
GePolCavity::writeOFF (C++ function)
GreensFunction (C++ class)
GreensFunction::derivativeProbe (C++ function)
GreensFunction::derivativeSource (C++ function)
GreensFunction::gradientProbe (C++ function)
GreensFunction::gradientSource (C++ function)
GreensFunction::kernelS_impl (C++ function)
GreensFunction::operator() (C++ function)
GreensFunction::permittivity (C++ function)
GreensFunction::uniform (C++ function)

H

hermitivitize (C++ function)
host_writer (C++ function)

I

IEFSolver (C++ class)
IEFSolver::blockPCMMatrix_ (C++ member)
IEFSolver::buildAnisotropicMatrix (C++ function)
IEFSolver::buildIsotropicMatrix (C++ function)
IEFSolver::buildSystemMatrix_impl (C++ function)
IEFSolver::computeCharge_impl (C++ function)
IEFSolver::fullPCMMatrix_ (C++ member)
IEFSolver::hermitivitize_ (C++ member)
IEFSolver::IEFSolver (C++ function)
IGreensFunction (C++ class)
IGreensFunction::doubleLayer (C++ function)
IGreensFunction::kernelD (C++ function)
IGreensFunction::kernelD_impl (C++ function)
IGreensFunction::kernelS (C++ function)
IGreensFunction::kernelS_impl (C++ function)
IGreensFunction::permittivity (C++ function)
IGreensFunction::singleLayer (C++ function)
IGreensFunction::uniform (C++ function)
Input (C++ class)
Input::area_ (C++ member)
Input::atoms_ (C++ member)
Input::cavData_ (C++ member)
Input::cavFilename_ (C++ member)
Input::cavityParams (C++ function)
Input::cavityType (C++ function)
Input::center_ (C++ member)
Input::coarsity_ (C++ member)
Input::CODATAyear_ (C++ member)
Input::correction_ (C++ member)
Input::derivativeInsideType_ (C++ member)
Input::derivativeOutsideType_ (C++ member)
Input::derOrder_ (C++ member)
Input::dyadicFilename_ (C++ member)
Input::epsilonDynamic1_ (C++ member)
Input::epsilonDynamic2_ (C++ member)
Input::epsilonDynamicOutside_ (C++ member)
Input::epsilonImaginary_ (C++ member)
Input::epsilonInside_ (C++ member)
Input::epsilonReal_ (C++ member)
Input::epsilonStatic1_ (C++ member)
Input::epsilonStatic2_ (C++ member)
Input::epsilonStaticOutside_ (C++ member)
Input::equationType_ (C++ member)
Input::geometry_ (C++ member)
Input::greenInsideType (C++ function)
Input::greenInsideType_ (C++ member)
Input::greenOutsideType_ (C++ member)
Input::hasSolvent_ (C++ member)
Input::hermitivitize_ (C++ member)
Input::Input (C++ function), [1], [2]
Input::insideGreenData_ (C++ member)
Input::integratorScaling_ (C++ member)
Input::integratorType_ (C++ member)
Input::isDynamic_ (C++ member)
Input::maxL_ (C++ member)
Input::minDistance_ (C++ member)
Input::minimalRadius_ (C++ member)
Input::mode_ (C++ member)
Input::molecule (C++ function)
Input::molecule_ (C++ member)
Input::origin_ (C++ member)
Input::outsideDynamicGreenData_ (C++ member)
Input::outsideStaticGreenData_ (C++ member)
Input::patchLevel_ (C++ member)
Input::probeRadius_ (C++ member)
Input::profileType_ (C++ member)
Input::providedBy (C++ function)
Input::providedBy_ (C++ member)
Input::radii_ (C++ member)
Input::radiiSet_ (C++ member)
Input::reader (C++ function)
Input::scaling_ (C++ member)
Input::semanticCheck (C++ function)
Input::solvent (C++ function)
Input::solvent_ (C++ member)
Input::solverData_ (C++ member)
Input::solverType_ (C++ member)
Input::spherePosition_ (C++ member)
Input::sphereRadius_ (C++ member)
Input::spheres_ (C++ member)
Input::type_ (C++ member)
Input::units (C++ function)
Input::units_ (C++ member)
Input::width_ (C++ member)
InterfaceOrigin
interfaces (C++ type)
interfaces::IntegratorParameters (C++ class)
interfaces::IntegratorParameters::eps_abs_ (C++ member)
interfaces::IntegratorParameters::eps_rel_ (C++ member)
interfaces::IntegratorParameters::factor_dxdt_ (C++ member)
interfaces::IntegratorParameters::factor_x_ (C++ member)
interfaces::IntegratorParameters::observer_step_ (C++ member)
interfaces::IntegratorParameters::r_0_ (C++ member)
interfaces::IntegratorParameters::r_infinity_ (C++ member)
interfaces::LnTransformedRadial (C++ class)
interfaces::LnTransformedRadial::eval_ (C++ member)
interfaces::LnTransformedRadial::l_ (C++ member)
interfaces::LnTransformedRadial::LnTransformedRadial (C++ function)
interfaces::LnTransformedRadial::operator() (C++ function)
interfaces::ProfileEvaluator (C++ type)
interfaces::StateType (C++ type)
IonicLiquid (C++ class)
IonicLiquid::doubleLayer (C++ function)
IonicLiquid::kernelD_impl (C++ function)
IonicLiquid::operator() (C++ function)
IonicLiquid::singleLayer (C++ function)
isZero (C++ function)

L

linearInterpolation (C++ function)

M

MatrixSymm
MaxL
MinRadius
Mode
Molecule (C++ class)
Molecule::atoms_ (C++ member)
Molecule::charges_ (C++ member)
Molecule::geometry_ (C++ member)
Molecule::masses_ (C++ member)
Molecule::Molecule (C++ function), [1], [2], [3], [4], [5]
Molecule::moveToCOM (C++ function)
Molecule::moveToPAF (C++ function)
Molecule::nAtoms_ (C++ member)
Molecule::operator= (C++ function)
Molecule::pointGroup_ (C++ member)
Molecule::rotate (C++ function)
Molecule::rotor_ (C++ member)
Molecule::spheres_ (C++ member)
Molecule::translate (C++ function)

N

Nonequilibrium
NpzFile
numericalZero (C++ function)

O

operator<< (C++ function)

P

parity (C++ function), [1]
pcm (C++ type)
pcm::initMolecule (C++ function)
pcm::initSpheresAtoms (C++ function)
pcm::Meddle (C++ class)
pcm::Meddle::cavity_ (C++ member)
pcm::Meddle::computeASC (C++ function)
pcm::Meddle::computePolarizationEnergy (C++ function)
pcm::Meddle::computeResponseASC (C++ function)
pcm::Meddle::functions_ (C++ member)
pcm::Meddle::getAreas (C++ function)
pcm::Meddle::getCavitySize (C++ function)
pcm::Meddle::getCenter (C++ function)
pcm::Meddle::getCenters (C++ function)
pcm::Meddle::getIrreducibleCavitySize (C++ function)
pcm::Meddle::getSurfaceFunction (C++ function)
pcm::Meddle::hasDynamic_ (C++ member)
pcm::Meddle::infoStream_ (C++ member)
pcm::Meddle::initCavity (C++ function)
pcm::Meddle::initDynamicSolver (C++ function)
pcm::Meddle::initInput (C++ function)
pcm::Meddle::initStaticSolver (C++ function)
pcm::Meddle::input_ (C++ member)
pcm::Meddle::K_0_ (C++ member)
pcm::Meddle::K_d_ (C++ member)
pcm::Meddle::loadSurfaceFunction (C++ function)
pcm::Meddle::Meddle (C++ function)
pcm::Meddle::mediumInfo (C++ function)
pcm::Meddle::printInfo (C++ function)
pcm::Meddle::saveSurfaceFunction (C++ function)
pcm::Meddle::saveSurfaceFunctions (C++ function)
pcm::Meddle::setSurfaceFunction (C++ function)
pcm::Meddle::writeTimings (C++ function)
pcm::pcmsolver_get_version (C++ function)
pcm::print (C++ function)
pcm::printer (C++ function), [1]
pcm::SurfaceFunctionMap (C++ type)
pcm::SurfaceFunctionMapConstIter (C++ type)
pcm::SurfaceFunctionPair (C++ type)
pcm::to_string (C++ function)
PCMInput (C++ class)
PCMInput::area (C++ member)
PCMInput::cavity_type (C++ member)
PCMInput::coarsity (C++ member)
PCMInput::correction (C++ member)
PCMInput::der_order (C++ member)
PCMInput::equation_type (C++ member)
PCMInput::inside_type (C++ member)
PCMInput::min_distance (C++ member)
PCMInput::min_radius (C++ member)
PCMInput::outside_epsilon (C++ member)
PCMInput::outside_type (C++ member)
PCMInput::patch_level (C++ member)
PCMInput::probe_radius (C++ member)
PCMInput::radii_set (C++ member)
PCMInput::restart_name (C++ member)
PCMInput::scaling (C++ member)
PCMInput::solvent (C++ member)
PCMInput::solver_type (C++ member)
PCMSolver (C++ class)
PCMSolver::buildSystemMatrix (C++ function)
PCMSolver::buildSystemMatrix_impl (C++ function)
PCMSolver::built_ (C++ member)
PCMSolver::computeCharge (C++ function)
PCMSolver::computeCharge_impl (C++ function)
PCMSolver::isotropic_ (C++ member)
PCMSOLVER_API (C macro)
pcmsolver_bool_t (C++ type)
pcmsolver_bool_t_DEFINED (C macro)
pcmsolver_compute_asc (C++ function)
pcmsolver_compute_polarization_energy (C++ function)
pcmsolver_compute_response_asc (C++ function)
pcmsolver_context_t (C++ type)
pcmsolver_delete (C++ function)
pcmsolver_get_areas (C++ function)
pcmsolver_get_cavity_size (C++ function)
pcmsolver_get_center (C++ function)
pcmsolver_get_centers (C++ function)
pcmsolver_get_irreducible_cavity_size (C++ function)
pcmsolver_get_surface_function (C++ function)
pcmsolver_is_compatible_library (C++ function)
pcmsolver_load_surface_function (C++ function)
pcmsolver_new (C++ function)
pcmsolver_print (C++ function)
PCMSOLVER_READER_HOST (C++ class)
PCMSOLVER_READER_OWN (C++ class)
pcmsolver_reader_t (C++ type)
pcmsolver_save_surface_function (C++ function)
pcmsolver_save_surface_functions (C++ function)
pcmsolver_set_surface_function (C++ function)
pcmsolver_write_timings (C++ function)
print_eigen_matrix (C++ function)
ProbeRadius

R

Radii
RadiiSet
RestartCavity (C++ class)
RestartCavity::makeCavity (C++ function)

S

Scaling
Solvent
(C++ class)
Solvent::epsDynamic (C++ member)
Solvent::epsStatic (C++ member)
Solvent::name (C++ member)
Solvent::probeRadius (C++ member)
Solver
Sphere (C++ class)
Sphere::scale (C++ function)
Spheres
SphericalDiffuse (C++ class)
SphericalDiffuse::coefficient_impl (C++ function)
SphericalDiffuse::coefficientCoulomb (C++ function)
SphericalDiffuse::coefficientCoulombDerivative (C++ function)
SphericalDiffuse::Coulomb (C++ function)
SphericalDiffuse::CoulombDerivative (C++ function)
SphericalDiffuse::doubleLayer (C++ function)
SphericalDiffuse::epsilon (C++ function)
SphericalDiffuse::imagePotential (C++ function)
SphericalDiffuse::imagePotentialComponent_impl (C++ function)
SphericalDiffuse::imagePotentialDerivative (C++ function)
SphericalDiffuse::initProfilePolicy (C++ function)
SphericalDiffuse::initSphericalDiffuse (C++ function)
SphericalDiffuse::kernelD_impl (C++ function)
SphericalDiffuse::maxLC_ (C++ member)
SphericalDiffuse::maxLGreen_ (C++ member)
SphericalDiffuse::omega_ (C++ member)
SphericalDiffuse::omegaC_ (C++ member)
SphericalDiffuse::operator() (C++ function)
SphericalDiffuse::origin_ (C++ member)
SphericalDiffuse::singleLayer (C++ function)
SphericalDiffuse::SphericalDiffuse (C++ function), [1]
SphericalDiffuse::zeta_ (C++ member)
SphericalDiffuse::zetaC_ (C++ member)
splineInterpolation (C++ function)
Symmetry (C++ class)
Symmetry::generators_ (C++ member)
Symmetry::nrGenerators_ (C++ member)
Symmetry::nrIrrep_ (C++ member)
Symmetry::Symmetry (C++ function)
symmetryBlocking (C++ function)
symmetryPacking (C++ function)

T

TIMER_DONE (C macro)
TIMER_OFF (C macro)
TIMER_ON (C macro)
Type, [1]

U

UniformDielectric (C++ class)
UniformDielectric::doubleLayer (C++ function)
UniformDielectric::kernelD_impl (C++ function)
UniformDielectric::operator() (C++ function)
UniformDielectric::singleLayer (C++ function)
Units

V

Vacuum (C++ class)
Vacuum::doubleLayer (C++ function)
Vacuum::kernelD_impl (C++ function)
Vacuum::operator() (C++ function)
Vacuum::singleLayer (C++ function)

W

Width