BALL::EnergyMinimizer Member List

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

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]
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::EnergyMinimizer	[virtual]
finishIteration()	BALL::EnergyMinimizer	[virtual]
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
initial_energy_	BALL::EnergyMinimizer	[protected]
initial_grad_	BALL::EnergyMinimizer	[protected]
isConverged() const	BALL::EnergyMinimizer	[virtual]
isValid() const	BALL::EnergyMinimizer
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 steps=0, bool resume=false)	BALL::EnergyMinimizer	[virtual]
number_of_iterations_	BALL::EnergyMinimizer	[protected]
old_energy_	BALL::EnergyMinimizer	[protected]
old_grad_	BALL::EnergyMinimizer	[protected]
operator=(const EnergyMinimizer &energy_minimizer)	BALL::EnergyMinimizer
operator==(const EnergyMinimizer &energy_minimizer)	BALL::EnergyMinimizer
options	BALL::EnergyMinimizer
printEnergy() const	BALL::EnergyMinimizer	[virtual]
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
snapshot_	BALL::EnergyMinimizer	[protected]
snapshot_frequency_	BALL::EnergyMinimizer	[protected]
specificSetup()	BALL::EnergyMinimizer	[virtual]
step_	BALL::EnergyMinimizer	[protected]
storeGradientEnergy()	BALL::EnergyMinimizer
takeSnapShot() const	BALL::EnergyMinimizer	[virtual]
updateDirection()	BALL::EnergyMinimizer	[virtual]
updateEnergy()	BALL::EnergyMinimizer	[virtual]
updateForces()	BALL::EnergyMinimizer	[virtual]
valid_	BALL::EnergyMinimizer	[protected]
wasAborted() const	BALL::EnergyMinimizer
~EnergyMinimizer()	BALL::EnergyMinimizer	[virtual]