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