ShiftedLVMMMinimizer Member List

This is the complete list of members for ShiftedLVMMMinimizer, 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]
BALANCING_VALUE enum value	ShiftedLVMMMinimizer
corr_par_	ShiftedLVMMMinimizer	[protected]
CorrectionParameter enum name	ShiftedLVMMMinimizer
curr_number_of_cols_	ShiftedLVMMMinimizer	[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()	ShiftedLVMMMinimizer	[virtual]
finishIteration()	EnergyMinimizer	[virtual]
first_iter_	ShiftedLVMMMinimizer	[protected]
force_field_	EnergyMinimizer	[protected]
force_update_counter_	EnergyMinimizer	[protected]
GEOMETRIC_MEAN enum value	ShiftedLVMMMinimizer
getCorrectionParameter() const	ShiftedLVMMMinimizer
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
getMaxNumOfColumns() const	ShiftedLVMMMinimizer
getMaxSameEnergy() const	EnergyMinimizer
getNumberOfIterations() const	EnergyMinimizer
getSnapShotFrequency() const	EnergyMinimizer
getUpdateMethod() const	ShiftedLVMMMinimizer
grad_diff_	ShiftedLVMMMinimizer	[protected]
hess_factor_	ShiftedLVMMMinimizer	[protected]
initial_atoms_	ShiftedLVMMMinimizer	[protected]
initial_energy_	EnergyMinimizer	[protected]
initial_grad_	EnergyMinimizer	[protected]
isConverged() const	EnergyMinimizer	[virtual]
isValid() const	EnergyMinimizer
line_search_	ShiftedLVMMMinimizer	[protected]
max_gradient_	EnergyMinimizer	[protected]
max_number_of_cols_	ShiftedLVMMMinimizer	[protected]
max_same_energy_	EnergyMinimizer	[protected]
maximal_number_of_iterations_	EnergyMinimizer	[protected]
maximum_displacement_	EnergyMinimizer	[protected]
minimize(Size iterations=0, bool resume=false)	ShiftedLVMMMinimizer	[virtual]
number_of_atoms_	ShiftedLVMMMinimizer	[protected]
number_of_iterations_	EnergyMinimizer	[protected]
old_energy_	EnergyMinimizer	[protected]
old_grad_	EnergyMinimizer	[protected]
operator=(const ShiftedLVMMMinimizer &rhs)	ShiftedLVMMMinimizer
EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer)	EnergyMinimizer
operator==(const EnergyMinimizer &energy_minimizer)	EnergyMinimizer
options	EnergyMinimizer
prev_shift_val_	ShiftedLVMMMinimizer	[protected]
printEnergy() const	EnergyMinimizer	[virtual]
RANK_1 enum value	ShiftedLVMMMinimizer
RANK_2 enum value	ShiftedLVMMMinimizer
RATIO_OF_SHIFT_PARAMS enum value	ShiftedLVMMMinimizer
same_energy_counter_	EnergyMinimizer	[protected]
setCorrectionParameter(CorrectionParameter corr)	ShiftedLVMMMinimizer
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
setMaxNumOfColumns(Size num)	ShiftedLVMMMinimizer
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
setUpdateMethod(UpdateMethod updt)	ShiftedLVMMMinimizer
shift_s_	ShiftedLVMMMinimizer	[protected]
shifted_direction_	ShiftedLVMMMinimizer	[protected]
ShiftedLVMMMinimizer()	ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field)	ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field, SnapShotManager *ssm)	ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field, SnapShotManager *ssm, const Options &options)	ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field, const Options &options)	ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(const ShiftedLVMMMinimizer &rhs)	ShiftedLVMMMinimizer
snapshot_	EnergyMinimizer	[protected]
snapshot_frequency_	EnergyMinimizer	[protected]
specificSetup()	ShiftedLVMMMinimizer	[virtual]
SQUARE_ROOT enum value	ShiftedLVMMMinimizer
step_	EnergyMinimizer	[protected]
storeGradientEnergy()	EnergyMinimizer
takeSnapShot() const	EnergyMinimizer	[virtual]
UNIT_VALUE enum value	ShiftedLVMMMinimizer
updateDirection()	ShiftedLVMMMinimizer	[virtual]
updateEnergy()	EnergyMinimizer	[virtual]
updateForces()	EnergyMinimizer	[virtual]
UpdateMethod enum name	ShiftedLVMMMinimizer
updt_method_	ShiftedLVMMMinimizer	[protected]
updt_u_	ShiftedLVMMMinimizer	[protected]
updt_v_	ShiftedLVMMMinimizer	[protected]
valid_	EnergyMinimizer	[protected]
wasAborted() const	EnergyMinimizer
~EnergyMinimizer()	EnergyMinimizer	[virtual]
~ShiftedLVMMMinimizer()	ShiftedLVMMMinimizer	[virtual]