, including all inherited members.
| a_i_ | BALL::ConjugateGradientMinimizer | [protected] |
| abort_by_energy_enabled_ | BALL::EnergyMinimizer | [protected] |
| abort_energy_ | BALL::EnergyMinimizer | [protected] |
| aborted_ | BALL::EnergyMinimizer | [protected] |
| b_i_ | BALL::ConjugateGradientMinimizer | [protected] |
| ConjugateGradientMinimizer() | BALL::ConjugateGradientMinimizer | |
| ConjugateGradientMinimizer(ForceField &force_field) | BALL::ConjugateGradientMinimizer | |
| ConjugateGradientMinimizer(ForceField &force_field, SnapShotManager *ssm) | BALL::ConjugateGradientMinimizer | |
| ConjugateGradientMinimizer(ForceField &force_field, SnapShotManager *ssm, const Options &options) | BALL::ConjugateGradientMinimizer | |
| ConjugateGradientMinimizer(ForceField &force_field, const Options &options) | BALL::ConjugateGradientMinimizer | |
| ConjugateGradientMinimizer(const ConjugateGradientMinimizer &rhs) | BALL::ConjugateGradientMinimizer | |
| current_energy_ | BALL::EnergyMinimizer | [protected] |
| current_grad_ | BALL::EnergyMinimizer | [protected] |
| cutlo_ | BALL::EnergyMinimizer | [protected] |
| D_1_ | BALL::ConjugateGradientMinimizer | [protected] |
| D_4_ | BALL::ConjugateGradientMinimizer | [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::ConjugateGradientMinimizer | [virtual] |
| finishIteration() | BALL::EnergyMinimizer | [virtual] |
| first_iter_ | BALL::ConjugateGradientMinimizer | [protected] |
| FLETCHER_REEVES enum value | BALL::ConjugateGradientMinimizer | |
| force_field_ | BALL::EnergyMinimizer | [protected] |
| force_update_counter_ | BALL::EnergyMinimizer | [protected] |
| 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 | |
| getMaxSameEnergy() const | BALL::EnergyMinimizer | |
| getNumberOfIterations() const | BALL::EnergyMinimizer | |
| getSnapShotFrequency() const | BALL::EnergyMinimizer | |
| getUpdateMethod() const | BALL::ConjugateGradientMinimizer | |
| initial_energy_ | BALL::EnergyMinimizer | [protected] |
| initial_grad_ | BALL::EnergyMinimizer | [protected] |
| isConverged() const | BALL::EnergyMinimizer | [virtual] |
| isValid() const | BALL::EnergyMinimizer | |
| last_restart_iter_ | BALL::ConjugateGradientMinimizer | [protected] |
| line_search_ | BALL::ConjugateGradientMinimizer | [protected] |
| max_gradient_ | BALL::EnergyMinimizer | [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::ConjugateGradientMinimizer | [virtual] |
| number_of_atoms_ | BALL::ConjugateGradientMinimizer | [protected] |
| number_of_iterations_ | BALL::EnergyMinimizer | [protected] |
| old_energy_ | BALL::EnergyMinimizer | [protected] |
| old_grad_ | BALL::EnergyMinimizer | [protected] |
| old_gtg_ | BALL::ConjugateGradientMinimizer | [protected] |
| operator=(const ConjugateGradientMinimizer &rhs) | BALL::ConjugateGradientMinimizer | |
| BALL::EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer | |
| operator==(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer | |
| options | BALL::EnergyMinimizer | |
| p_i_ | BALL::ConjugateGradientMinimizer | [protected] |
| p_t_ | BALL::ConjugateGradientMinimizer | [protected] |
| POLAK_RIBIERE enum value | BALL::ConjugateGradientMinimizer | |
| printEnergy() const | BALL::EnergyMinimizer | [virtual] |
| restart_frequency_ | BALL::ConjugateGradientMinimizer | [protected] |
| same_energy_counter_ | BALL::EnergyMinimizer | [protected] |
| 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 | |
| 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 method) | BALL::ConjugateGradientMinimizer | |
| SHANNO enum value | BALL::ConjugateGradientMinimizer | |
| snapshot_ | BALL::EnergyMinimizer | [protected] |
| snapshot_frequency_ | BALL::EnergyMinimizer | [protected] |
| specificSetup() | BALL::ConjugateGradientMinimizer | [virtual] |
| step_ | BALL::EnergyMinimizer | [protected] |
| storeGradientEnergy() | BALL::EnergyMinimizer | |
| takeSnapShot() const | BALL::EnergyMinimizer | [virtual] |
| unscaled_direction_ | BALL::ConjugateGradientMinimizer | [protected] |
| updateDirection() | BALL::ConjugateGradientMinimizer | [virtual] |
| updateEnergy() | BALL::EnergyMinimizer | [virtual] |
| updateForces() | BALL::EnergyMinimizer | [virtual] |
| UpdateMethod enum name | BALL::ConjugateGradientMinimizer | |
| updt_method_ | BALL::ConjugateGradientMinimizer | [protected] |
| valid_ | BALL::EnergyMinimizer | [protected] |
| wasAborted() const | BALL::EnergyMinimizer | |
| y_i_ | BALL::ConjugateGradientMinimizer | [protected] |
| y_t_ | BALL::ConjugateGradientMinimizer | [protected] |
| ~ConjugateGradientMinimizer() | BALL::ConjugateGradientMinimizer | [virtual] |
| ~EnergyMinimizer() | BALL::EnergyMinimizer | [virtual] |
1.6.3
