PCMSolver
v1.1.11
PCMSolver Users’ Manual
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PCMSolver Programmers’ Manual
Classes and functions reference
References
PCMSolver
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Index
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Index
A
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C
|
D
|
E
|
G
|
H
|
I
|
M
|
N
|
P
|
R
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S
|
T
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U
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V
|
W
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
Dipoles
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)
InterfaceOrigin
IonicLiquid (C++ class)
ISolver (C++ class)
M
MatrixSymm
MaxL
MinRadius
Mode
Monopoles
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++ enumerator)
PCMSOLVER_READER_OWN (C++ enumerator)
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
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
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