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FDPB Member List
This is the complete list of members for
FDPB
, including all inherited members.
atom_array
FDPB
boundary_points_
(defined in
FDPB
)
FDPB
[protected]
calculateReactionFieldEnergy
() const
FDPB
destroy
()
FDPB
destroyGrids
()
FDPB
energy_
(defined in
FDPB
)
FDPB
[protected]
eps_grid
FDPB
ERROR__ATOM_ARRAY_REQUIRED
enum value
FDPB
ERROR__CANNOT_CREATE_ATOM_ARRAY
enum value
FDPB
ERROR__CANNOT_CREATE_CHARGE_GRID
enum value
FDPB
ERROR__CANNOT_CREATE_EPSILON_GRID
enum value
FDPB
ERROR__CANNOT_CREATE_KAPPA_GRID
enum value
FDPB
ERROR__CANNOT_CREATE_PHI_GRID
enum value
FDPB
ERROR__CANNOT_CREATE_SAS_GRID
enum value
FDPB
ERROR__EPSILON_GRID_REQUIRED
enum value
FDPB
ERROR__ILLEGAL_VALUE_FOR_LOWER_UPPER
enum value
FDPB
ERROR__NONE
enum value
FDPB
ERROR__NOT_A_VECTOR_IN_UPPER_LOWER
enum value
FDPB
ERROR__NOT_IMPLEMENTED
enum value
FDPB
ERROR__OUT_OF_MEMORY
enum value
FDPB
ERROR__PHI_GRID_REQUIRED
enum value
FDPB
ERROR__SAS_GRID_REQUIRED
enum value
FDPB
ERROR__SETUP_REQUIRED
enum value
FDPB
ERROR__UNKNOWN
enum value
FDPB
ERROR__UNKNOWN_BOUNDARY_CONDITION_TYPE
enum value
FDPB
ERROR__UNKNOWN_CHARGE_DISTRIBUTION_METHOD
enum value
FDPB
ERROR__UNKNOWN_DIELECTRIC_SMOOTHING_METHOD
enum value
FDPB
error_code_
(defined in
FDPB
)
FDPB
[protected]
error_message_
(defined in
FDPB
)
FDPB
[protected, static]
ErrorCode
enum name
FDPB
FastAtom
typedef (defined in
FDPB
)
FDPB
FDPB
()
FDPB
FDPB
(const FDPB &fdpb)
FDPB
FDPB
(System &system)
FDPB
FDPB
(Options &new_options)
FDPB
FDPB
(System &system, Options &new_options)
FDPB
getEnergy
() const
FDPB
getErrorCode
() const
FDPB
getErrorMessage
(Index error_code)
FDPB
[static]
getNumberOfIterations
() const
FDPB
getReactionFieldEnergy
() const
FDPB
kappa_grid
FDPB
lower_
(defined in
FDPB
)
FDPB
[protected]
NUMBER_OF_ERRORS
enum value
FDPB
number_of_iterations_
(defined in
FDPB
)
FDPB
[protected]
offset_
(defined in
FDPB
)
FDPB
[protected]
options
FDPB
phi_grid
FDPB
q_grid
FDPB
reaction_field_energy_
(defined in
FDPB
)
FDPB
[protected]
results
FDPB
SAS_grid
FDPB
setup
(System &system)
FDPB
setup
(System &system, Options &options)
FDPB
setupAtomArray
(System &system)
FDPB
setupBoundary
()
FDPB
setupEpsGrid
(System &system)
FDPB
setupKappaGrid
()
FDPB
setupPhiGrid
()
FDPB
setupQGrid
()
FDPB
setupSASGrid
(System &system)
FDPB
solve
()
FDPB
spacing_
(defined in
FDPB
)
FDPB
[protected]
upper_
(defined in
FDPB
)
FDPB
[protected]
use_offset_
(defined in
FDPB
)
FDPB
[protected]
~FDPB
()
FDPB
[virtual]