BALL::StrangLBFGSMinimizer Member List

This is the complete list of members for BALL::StrangLBFGSMinimizer, including all inherited members.
abort_by_energy_enabled_BALL::EnergyMinimizer [protected]
abort_energy_BALL::EnergyMinimizer [protected]
aborted_BALL::EnergyMinimizer [protected]
curr_num_of_vect_pairs_BALL::StrangLBFGSMinimizer [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::StrangLBFGSMinimizer [virtual]
finishIteration()BALL::EnergyMinimizer [virtual]
first_iter_BALL::StrangLBFGSMinimizer [protected]
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
getImprovedFlag() const BALL::StrangLBFGSMinimizer
getInitialEnergy() const BALL::EnergyMinimizer
getInitialEnergy()BALL::EnergyMinimizer
getInitialGradient()BALL::EnergyMinimizer
getMaxGradient() const BALL::EnergyMinimizer
getMaximumDisplacement() const BALL::EnergyMinimizer
getMaxNumberOfIterations() const BALL::EnergyMinimizer
getMaxNumOfStoredVectPairs() const BALL::StrangLBFGSMinimizer
getMaxSameEnergy() const BALL::EnergyMinimizer
getNumberOfIterations() const BALL::EnergyMinimizer
getSnapShotFrequency() const BALL::EnergyMinimizer
improved_BALL::StrangLBFGSMinimizer [protected]
index_of_free_vect_BALL::StrangLBFGSMinimizer [protected]
initial_atoms_BALL::StrangLBFGSMinimizer [protected]
initial_energy_BALL::EnergyMinimizer [protected]
initial_grad_BALL::EnergyMinimizer [protected]
isConverged() const BALL::EnergyMinimizer [virtual]
isValid() const BALL::EnergyMinimizer
line_search_BALL::StrangLBFGSMinimizer [protected]
max_gradient_BALL::EnergyMinimizer [protected]
max_num_of_vect_pairs_BALL::StrangLBFGSMinimizer [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::StrangLBFGSMinimizer [virtual]
number_of_atoms_BALL::StrangLBFGSMinimizer [protected]
number_of_iterations_BALL::EnergyMinimizer [protected]
old_energy_BALL::EnergyMinimizer [protected]
old_grad_BALL::EnergyMinimizer [protected]
operator=(const StrangLBFGSMinimizer &rhs)BALL::StrangLBFGSMinimizer
BALL::EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer)BALL::EnergyMinimizer
operator==(const EnergyMinimizer &energy_minimizer)BALL::EnergyMinimizer
optionsBALL::EnergyMinimizer
printEnergy() const BALL::EnergyMinimizer [virtual]
rho_BALL::StrangLBFGSMinimizer [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
setImprovedFlag(bool flag)BALL::StrangLBFGSMinimizer
setMaxGradient(float max_gradient)BALL::EnergyMinimizer
setMaximumDisplacement(float maximum_displacement)BALL::EnergyMinimizer
setMaxNumberOfIterations(Size number_of_iterations)BALL::EnergyMinimizer
setMaxNumOfStoredVectPairs(Size num)BALL::StrangLBFGSMinimizer
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
snapshot_BALL::EnergyMinimizer [protected]
snapshot_frequency_BALL::EnergyMinimizer [protected]
specificSetup()BALL::StrangLBFGSMinimizer [virtual]
step_BALL::EnergyMinimizer [protected]
stored_s_BALL::StrangLBFGSMinimizer [protected]
stored_y_BALL::StrangLBFGSMinimizer [protected]
storeGradientEnergy()BALL::EnergyMinimizer
StrangLBFGSMinimizer()BALL::StrangLBFGSMinimizer
StrangLBFGSMinimizer(ForceField &force_field)BALL::StrangLBFGSMinimizer
StrangLBFGSMinimizer(ForceField &force_field, SnapShotManager *ssm)BALL::StrangLBFGSMinimizer
StrangLBFGSMinimizer(ForceField &force_field, SnapShotManager *ssm, const Options &options)BALL::StrangLBFGSMinimizer
StrangLBFGSMinimizer(ForceField &force_field, const Options &options)BALL::StrangLBFGSMinimizer
StrangLBFGSMinimizer(const StrangLBFGSMinimizer &rhs)BALL::StrangLBFGSMinimizer
takeSnapShot() const BALL::EnergyMinimizer [virtual]
updateDirection()BALL::StrangLBFGSMinimizer [virtual]
updateEnergy()BALL::EnergyMinimizer [virtual]
updateForces()BALL::EnergyMinimizer [virtual]
valid_BALL::EnergyMinimizer [protected]
wasAborted() const BALL::EnergyMinimizer
work_val_BALL::StrangLBFGSMinimizer [protected]
~EnergyMinimizer()BALL::EnergyMinimizer [virtual]
~StrangLBFGSMinimizer()BALL::StrangLBFGSMinimizer [virtual]
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