, including all inherited members.
| abort_by_energy_enabled_ | BALL::EnergyMinimizer | [protected] |
| abort_energy_ | BALL::EnergyMinimizer | [protected] |
| aborted_ | BALL::EnergyMinimizer | [protected] |
| BALANCING_VALUE enum value | BALL::ShiftedLVMMMinimizer | |
| corr_par_ | BALL::ShiftedLVMMMinimizer | [protected] |
| CorrectionParameter enum name | BALL::ShiftedLVMMMinimizer | |
| curr_number_of_cols_ | BALL::ShiftedLVMMMinimizer | [protected] |
| current_energy_ | BALL::EnergyMinimizer | [protected] |
| current_grad_ | BALL::EnergyMinimizer | [protected] |
| cutlo_ | BALL::EnergyMinimizer | [protected] |
| direction_ | BALL::EnergyMinimizer | [protected] |
| enableEnergyAbortCondition(bool state) | BALL::EnergyMinimizer | |
| energy_difference_bound_ | BALL::EnergyMinimizer | [protected] |
| energy_output_frequency_ | BALL::EnergyMinimizer | [protected] |
| energy_update_counter_ | BALL::EnergyMinimizer | [protected] |
| energyAbortConditionEnabled() const | BALL::EnergyMinimizer | |
| EnergyMinimizer() | BALL::EnergyMinimizer | |
| EnergyMinimizer(ForceField &force_field) | BALL::EnergyMinimizer | |
| EnergyMinimizer(ForceField &force_field, const Options &options) | BALL::EnergyMinimizer | |
| EnergyMinimizer(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer | |
| findStep() | BALL::ShiftedLVMMMinimizer | [virtual] |
| finishIteration() | BALL::EnergyMinimizer | [virtual] |
| first_iter_ | BALL::ShiftedLVMMMinimizer | [protected] |
| force_field_ | BALL::EnergyMinimizer | [protected] |
| force_update_counter_ | BALL::EnergyMinimizer | [protected] |
| GEOMETRIC_MEAN enum value | BALL::ShiftedLVMMMinimizer | |
| getCorrectionParameter() const | BALL::ShiftedLVMMMinimizer | |
| getDirection() | BALL::EnergyMinimizer | |
| getEnergy() const | BALL::EnergyMinimizer | |
| getEnergy() | BALL::EnergyMinimizer | |
| getEnergyDifferenceBound() const | BALL::EnergyMinimizer | |
| getEnergyOutputFrequency() const | BALL::EnergyMinimizer | |
| getEnergyToAbort() const | BALL::EnergyMinimizer | |
| getEnergyUpdateCounter() const | BALL::EnergyMinimizer | |
| getForceField() | BALL::EnergyMinimizer | |
| getForceUpdateCounter() const | BALL::EnergyMinimizer | |
| getGradient() | BALL::EnergyMinimizer | |
| getInitialEnergy() const | BALL::EnergyMinimizer | |
| getInitialEnergy() | BALL::EnergyMinimizer | |
| getInitialGradient() | BALL::EnergyMinimizer | |
| getMaxGradient() const | BALL::EnergyMinimizer | |
| getMaximumDisplacement() const | BALL::EnergyMinimizer | |
| getMaxNumberOfIterations() const | BALL::EnergyMinimizer | |
| getMaxNumOfColumns() const | BALL::ShiftedLVMMMinimizer | |
| getMaxSameEnergy() const | BALL::EnergyMinimizer | |
| getNumberOfIterations() const | BALL::EnergyMinimizer | |
| getSnapShotFrequency() const | BALL::EnergyMinimizer | |
| getUpdateMethod() const | BALL::ShiftedLVMMMinimizer | |
| grad_diff_ | BALL::ShiftedLVMMMinimizer | [protected] |
| hess_factor_ | BALL::ShiftedLVMMMinimizer | [protected] |
| initial_atoms_ | BALL::ShiftedLVMMMinimizer | [protected] |
| initial_energy_ | BALL::EnergyMinimizer | [protected] |
| initial_grad_ | BALL::EnergyMinimizer | [protected] |
| isConverged() const | BALL::EnergyMinimizer | [virtual] |
| isValid() const | BALL::EnergyMinimizer | |
| line_search_ | BALL::ShiftedLVMMMinimizer | [protected] |
| max_gradient_ | BALL::EnergyMinimizer | [protected] |
| max_number_of_cols_ | BALL::ShiftedLVMMMinimizer | [protected] |
| max_same_energy_ | BALL::EnergyMinimizer | [protected] |
| maximal_number_of_iterations_ | BALL::EnergyMinimizer | [protected] |
| maximum_displacement_ | BALL::EnergyMinimizer | [protected] |
| minimize(Size iterations=0, bool resume=false) | BALL::ShiftedLVMMMinimizer | [virtual] |
| number_of_atoms_ | BALL::ShiftedLVMMMinimizer | [protected] |
| number_of_iterations_ | BALL::EnergyMinimizer | [protected] |
| old_energy_ | BALL::EnergyMinimizer | [protected] |
| old_grad_ | BALL::EnergyMinimizer | [protected] |
| operator=(const ShiftedLVMMMinimizer &rhs) | BALL::ShiftedLVMMMinimizer | |
| BALL::EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer | |
| operator==(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer | |
| options | BALL::EnergyMinimizer | |
| prev_shift_val_ | BALL::ShiftedLVMMMinimizer | [protected] |
| printEnergy() const | BALL::EnergyMinimizer | [virtual] |
| RANK_1 enum value | BALL::ShiftedLVMMMinimizer | |
| RANK_2 enum value | BALL::ShiftedLVMMMinimizer | |
| RATIO_OF_SHIFT_PARAMS enum value | BALL::ShiftedLVMMMinimizer | |
| same_energy_counter_ | BALL::EnergyMinimizer | [protected] |
| setCorrectionParameter(CorrectionParameter corr) | BALL::ShiftedLVMMMinimizer | |
| setEnergyDifferenceBound(float energy_difference_bound) | BALL::EnergyMinimizer | |
| setEnergyOutputFrequency(Size energy_output_frequency) | BALL::EnergyMinimizer | |
| setEnergyToAbort(float value) | BALL::EnergyMinimizer | |
| setMaxGradient(float max_gradient) | BALL::EnergyMinimizer | |
| setMaximumDisplacement(float maximum_displacement) | BALL::EnergyMinimizer | |
| setMaxNumberOfIterations(Size number_of_iterations) | BALL::EnergyMinimizer | |
| setMaxNumOfColumns(Size num) | BALL::ShiftedLVMMMinimizer | |
| setMaxSameEnergy(Size number) | BALL::EnergyMinimizer | |
| setNumberOfIterations(Size number_of_iterations) | BALL::EnergyMinimizer | |
| setSnapShotFrequency(Size snapshot_frequency) | BALL::EnergyMinimizer | |
| setup(ForceField &force_field) | BALL::EnergyMinimizer | |
| setup(ForceField &force_field, SnapShotManager *ssm) | BALL::EnergyMinimizer | |
| setup(ForceField &force_field, SnapShotManager *ssm, const Options &options) | BALL::EnergyMinimizer | |
| setup(ForceField &force_field, const Options &options) | BALL::EnergyMinimizer | |
| setUpdateMethod(UpdateMethod updt) | BALL::ShiftedLVMMMinimizer | |
| shift_s_ | BALL::ShiftedLVMMMinimizer | [protected] |
| shifted_direction_ | BALL::ShiftedLVMMMinimizer | [protected] |
| ShiftedLVMMMinimizer() | BALL::ShiftedLVMMMinimizer | |
| ShiftedLVMMMinimizer(ForceField &force_field) | BALL::ShiftedLVMMMinimizer | |
| ShiftedLVMMMinimizer(ForceField &force_field, SnapShotManager *ssm) | BALL::ShiftedLVMMMinimizer | |
| ShiftedLVMMMinimizer(ForceField &force_field, SnapShotManager *ssm, const Options &options) | BALL::ShiftedLVMMMinimizer | |
| ShiftedLVMMMinimizer(ForceField &force_field, const Options &options) | BALL::ShiftedLVMMMinimizer | |
| ShiftedLVMMMinimizer(const ShiftedLVMMMinimizer &rhs) | BALL::ShiftedLVMMMinimizer | |
| snapshot_ | BALL::EnergyMinimizer | [protected] |
| snapshot_frequency_ | BALL::EnergyMinimizer | [protected] |
| specificSetup() | BALL::ShiftedLVMMMinimizer | [virtual] |
| SQUARE_ROOT enum value | BALL::ShiftedLVMMMinimizer | |
| step_ | BALL::EnergyMinimizer | [protected] |
| storeGradientEnergy() | BALL::EnergyMinimizer | |
| takeSnapShot() const | BALL::EnergyMinimizer | [virtual] |
| UNIT_VALUE enum value | BALL::ShiftedLVMMMinimizer | |
| updateDirection() | BALL::ShiftedLVMMMinimizer | [virtual] |
| updateEnergy() | BALL::EnergyMinimizer | [virtual] |
| updateForces() | BALL::EnergyMinimizer | [virtual] |
| UpdateMethod enum name | BALL::ShiftedLVMMMinimizer | |
| updt_method_ | BALL::ShiftedLVMMMinimizer | [protected] |
| updt_u_ | BALL::ShiftedLVMMMinimizer | [protected] |
| updt_v_ | BALL::ShiftedLVMMMinimizer | [protected] |
| valid_ | BALL::EnergyMinimizer | [protected] |
| wasAborted() const | BALL::EnergyMinimizer | |
| ~EnergyMinimizer() | BALL::EnergyMinimizer | [virtual] |
| ~ShiftedLVMMMinimizer() | BALL::ShiftedLVMMMinimizer | [virtual] |
1.6.3
