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EnergyMinimizer Member List
This is the complete list of members for
EnergyMinimizer
, including all inherited members.
abort_by_energy_enabled_
(defined in
EnergyMinimizer
)
EnergyMinimizer
[protected]
abort_energy_
(defined in
EnergyMinimizer
)
EnergyMinimizer
[protected]
aborted_
(defined in
EnergyMinimizer
)
EnergyMinimizer
[protected]
current_energy_
EnergyMinimizer
[protected]
current_grad_
EnergyMinimizer
[protected]
cutlo_
EnergyMinimizer
[protected]
direction_
EnergyMinimizer
[protected]
enableEnergyAbortCondition
(bool state)
EnergyMinimizer
energy_difference_bound_
EnergyMinimizer
[protected]
energy_output_frequency_
EnergyMinimizer
[protected]
energy_update_counter_
EnergyMinimizer
[protected]
energyAbortConditionEnabled
() const
EnergyMinimizer
EnergyMinimizer
()
EnergyMinimizer
EnergyMinimizer
(ForceField &force_field)
EnergyMinimizer
EnergyMinimizer
(ForceField &force_field, const Options &options)
EnergyMinimizer
EnergyMinimizer
(const EnergyMinimizer &energy_minimizer)
EnergyMinimizer
findStep
()
EnergyMinimizer
[virtual]
finishIteration
()
EnergyMinimizer
[virtual]
force_field_
EnergyMinimizer
[protected]
force_update_counter_
EnergyMinimizer
[protected]
getDirection
()
EnergyMinimizer
getEnergy
() const
EnergyMinimizer
getEnergy
()
EnergyMinimizer
getEnergyDifferenceBound
() const
EnergyMinimizer
getEnergyOutputFrequency
() const
EnergyMinimizer
getEnergyToAbort
() const (defined in
EnergyMinimizer
)
EnergyMinimizer
getEnergyUpdateCounter
() const
EnergyMinimizer
getForceField
()
EnergyMinimizer
getForceUpdateCounter
() const
EnergyMinimizer
getGradient
()
EnergyMinimizer
getInitialEnergy
() const
EnergyMinimizer
getInitialEnergy
()
EnergyMinimizer
getInitialGradient
()
EnergyMinimizer
getMaxGradient
() const
EnergyMinimizer
getMaximumDisplacement
() const
EnergyMinimizer
getMaxNumberOfIterations
() const
EnergyMinimizer
getMaxSameEnergy
() const
EnergyMinimizer
getNumberOfIterations
() const
EnergyMinimizer
getSnapShotFrequency
() const
EnergyMinimizer
initial_energy_
EnergyMinimizer
[protected]
initial_grad_
EnergyMinimizer
[protected]
isConverged
() const
EnergyMinimizer
[virtual]
isValid
() const
EnergyMinimizer
max_gradient_
EnergyMinimizer
[protected]
max_same_energy_
EnergyMinimizer
[protected]
maximal_number_of_iterations_
EnergyMinimizer
[protected]
maximum_displacement_
EnergyMinimizer
[protected]
minimize
(Size steps=0, bool resume=false)
EnergyMinimizer
[virtual]
number_of_iterations_
EnergyMinimizer
[protected]
old_energy_
EnergyMinimizer
[protected]
old_grad_
EnergyMinimizer
[protected]
operator=
(const EnergyMinimizer &energy_minimizer)
EnergyMinimizer
operator==
(const EnergyMinimizer &energy_minimizer)
EnergyMinimizer
options
EnergyMinimizer
printEnergy
() const
EnergyMinimizer
[virtual]
same_energy_counter_
EnergyMinimizer
[protected]
setEnergyDifferenceBound
(float energy_difference_bound)
EnergyMinimizer
setEnergyOutputFrequency
(Size energy_output_frequency)
EnergyMinimizer
setEnergyToAbort
(float value)
EnergyMinimizer
setMaxGradient
(float max_gradient)
EnergyMinimizer
setMaximumDisplacement
(float maximum_displacement)
EnergyMinimizer
setMaxNumberOfIterations
(Size number_of_iterations)
EnergyMinimizer
setMaxSameEnergy
(Size number)
EnergyMinimizer
setNumberOfIterations
(Size number_of_iterations)
EnergyMinimizer
setSnapShotFrequency
(Size snapshot_frequency)
EnergyMinimizer
setup
(ForceField &force_field)
EnergyMinimizer
setup
(ForceField &force_field, SnapShotManager *ssm)
EnergyMinimizer
setup
(ForceField &force_field, SnapShotManager *ssm, const Options &options)
EnergyMinimizer
setup
(ForceField &force_field, const Options &options)
EnergyMinimizer
snapshot_
EnergyMinimizer
[protected]
snapshot_frequency_
EnergyMinimizer
[protected]
specificSetup
()
EnergyMinimizer
[virtual]
step_
EnergyMinimizer
[protected]
storeGradientEnergy
()
EnergyMinimizer
takeSnapShot
() const
EnergyMinimizer
[virtual]
updateDirection
()
EnergyMinimizer
[virtual]
updateEnergy
()
EnergyMinimizer
[virtual]
updateForces
()
EnergyMinimizer
[virtual]
valid_
EnergyMinimizer
[protected]
wasAborted
() const
EnergyMinimizer
~EnergyMinimizer
()
EnergyMinimizer
[virtual]