Index

A

AnisotropicLiquid (C++ class) Area

Atom (C++ class) Atoms

C

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)

D

Der DiagonalIntegrator

DiagonalScaling

E

Eps Eps1 Eps2

EpsDyn EpsDyn1 EpsDyn2

G

Geometry GePolCavity (C++ class)

GreensFunction (C++ class)

H

HostWriter (C++ type)

I

ICavity (C++ class) IEFSolver (C++ class) IGreensFunction (C++ class) Input (C++ class)

InterfaceOrigin IonicLiquid (C++ class) ISolver (C++ class)

M

MatrixSymm MaxL

MinRadius Mode

N

Nonequilibrium

NpzFile

P

pcm (C++ type) pcm::utils (C++ type) pcm::utils::eulerRotation (C++ function) pcm::utils::hermitivitize (C++ function) pcm::utils::isZero (C++ function) pcm::utils::linearInterpolation (C++ function) pcm::utils::numericalZero (C++ function) pcm::utils::parity (C++ function), [1] pcm::utils::print_eigen_matrix (C++ function) pcm::utils::splineInterpolation (C++ function) pcm::utils::symmetryBlocking (C++ function) pcm::utils::symmetryPacking (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_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_EXPORT (C macro) pcmsolver_get_areas (C++ function) pcmsolver_get_asc_dipole (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_print_surface_function (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) ProbeRadius

R

Radii RadiiSet

RestartCavity (C++ class)

S

Scaling Solvent (C++ class) SolverType Sphere (C++ class) Spheres SphericalDiffuse (C++ class)

Symmetry (C++ class) Symmetry::generators_ (C++ member) Symmetry::nrGenerators_ (C++ member) Symmetry::nrIrrep_ (C++ member) Symmetry::Symmetry (C++ function)

T

TIMER_DONE (C macro) TIMER_OFF (C macro)

TIMER_ON (C macro) Type, [1]

U

UniformDielectric (C++ class)

Units

V

Vacuum (C++ class)

W

Width