BALL::ConjugateGradientMinimizer Member List

This is the complete list of members for BALL::ConjugateGradientMinimizer, including all inherited members.

a_i_	BALL::ConjugateGradientMinimizer	[protected]
abort_by_energy_enabled_ (defined in BALL::EnergyMinimizer)	BALL::EnergyMinimizer	[protected]
abort_energy_ (defined in BALL::EnergyMinimizer)	BALL::EnergyMinimizer	[protected]
aborted_ (defined in BALL::EnergyMinimizer)	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 (defined in BALL::EnergyMinimizer)	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]