| AmberFF() | AmberFF | |
| AmberFF(System &system) | AmberFF | |
| AmberFF(System &system, const Options &options) | AmberFF | |
| AmberFF(const AmberFF &force_field) | AmberFF | |
| atoms_ (defined in ForceField) | ForceField | [protected] |
| clear() | AmberFF | [virtual] |
| collectAtoms_(const System &system) (defined in ForceField) | ForceField | [protected] |
| components_ (defined in ForceField) | ForceField | [protected] |
| countComponents() const | ForceField | |
| disableSelection() | ForceField | |
| enableSelection() | ForceField | |
| energy_ (defined in ForceField) | ForceField | [protected] |
| error() (defined in ForceField) | ForceField | |
| filename_ (defined in AmberFF) | AmberFF | [protected] |
| ForceField() | ForceField | |
| ForceField(System &system) | ForceField | |
| ForceField(System &system, const Options &options) | ForceField | |
| ForceField(const ForceField &force_field) | ForceField | |
| ForceFieldComponent (defined in ForceField) | ForceField | [friend] |
| getAtoms() const | ForceField | |
| getBendEnergy() const | AmberFF | |
| getComponent(const Size index) const | ForceField | |
| getComponent(const String &name) const | ForceField | |
| getEnergy() const | ForceField | |
| getESEnergy() const | AmberFF | |
| getMaximumNumberOfErrors() const | ForceField | |
| getName() const | ForceField | |
| getNonbondedEnergy() const | AmberFF | |
| getNumberOfAtoms() const | ForceField | |
| getNumberOfMovableAtoms() const | ForceField | |
| getParameters() | ForceField | |
| getResults() const | AmberFF | [virtual] |
| getRMSGradient() const | ForceField | |
| getSetupTime() const | ForceField | |
| getStretchEnergy() const | AmberFF | |
| getSystem() | ForceField | |
| getSystem() const | ForceField | |
| getTorsionEnergy() const | AmberFF | |
| getUnassignedAtoms() | ForceField | |
| getUpdateFrequency() const | AmberFF | [virtual] |
| getUpdateTime() const | ForceField | |
| getUseSelection() const | ForceField | |
| getVdWEnergy() const | AmberFF | |
| hasInitializedParameters() const | AmberFF | |
| insertComponent(ForceFieldComponent *force_field_component) | ForceField | |
| isSelectionEnabled() const | ForceField | |
| isValid() const | ForceField | |
| max_number_of_errors_ (defined in ForceField) | ForceField | [protected] |
| name_ (defined in ForceField) | ForceField | [protected] |
| number_of_errors_ (defined in ForceField) | ForceField | [protected] |
| number_of_movable_atoms_ (defined in ForceField) | ForceField | [protected] |
| operator=(const AmberFF &force_field) | AmberFF | |
| ForceField::operator=(const ForceField &force_field) | ForceField | |
| options | ForceField | |
| PairVector typedef | ForceField | |
| parameters_ (defined in ForceField) | ForceField | [protected] |
| parameters_initialized_ (defined in AmberFF) | AmberFF | [protected] |
| periodic_boundary | ForceField | |
| removeComponent(const ForceFieldComponent *force_field_component) | ForceField | |
| removeComponent(const String &name) | ForceField | |
| selection_enabled_ (defined in ForceField) | ForceField | [protected] |
| setMaximumNumberOfErrors(Size nr) | ForceField | |
| setName(const String &name) | ForceField | |
| setup(System &system) | ForceField | |
| setup(System &system, const Options &options) | ForceField | |
| setup_time_stamp_ (defined in ForceField) | ForceField | [protected] |
| sortSelectedAtomVector_() (defined in ForceField) | ForceField | [protected] |
| specificSetup() | AmberFF | [virtual] |
| system_ (defined in ForceField) | ForceField | [protected] |
| unassigned_atoms_ (defined in ForceField) | ForceField | [protected] |
| update() | ForceField | [virtual] |
| update_time_stamp_ (defined in ForceField) | ForceField | [protected] |
| updateEnergy() | ForceField | |
| updateForces() | ForceField | |
| use_selection_ (defined in ForceField) | ForceField | [protected] |
| valid_ (defined in ForceField) | ForceField | [protected] |
| ~AmberFF() | AmberFF | [virtual] |
| ~ForceField() | ForceField | [virtual] |