BALL
1.5.0
BALL
EnergyMinimizer
BALL::EnergyMinimizer Member List
This is the complete list of members for
BALL::EnergyMinimizer
, including all inherited members.
abort_by_energy_enabled_
BALL::EnergyMinimizer
protected
abort_energy_
BALL::EnergyMinimizer
protected
aborted_
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
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
Generated by
1.8.20