BALL  1.4.79
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BALL::ShiftedLVMMMinimizer Member List

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

abort_by_energy_enabled_BALL::EnergyMinimizerprotected
abort_energy_BALL::EnergyMinimizerprotected
aborted_BALL::EnergyMinimizerprotected
BALANCING_VALUE enum valueBALL::ShiftedLVMMMinimizer
corr_par_BALL::ShiftedLVMMMinimizerprotected
CorrectionParameter enum nameBALL::ShiftedLVMMMinimizer
curr_number_of_cols_BALL::ShiftedLVMMMinimizerprotected
current_energy_BALL::EnergyMinimizerprotected
current_grad_BALL::EnergyMinimizerprotected
cutlo_BALL::EnergyMinimizerprotected
direction_BALL::EnergyMinimizerprotected
enableEnergyAbortCondition(bool state)BALL::EnergyMinimizer
energy_difference_bound_BALL::EnergyMinimizerprotected
energy_output_frequency_BALL::EnergyMinimizerprotected
energy_update_counter_BALL::EnergyMinimizerprotected
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::ShiftedLVMMMinimizervirtual
finishIteration()BALL::EnergyMinimizervirtual
first_iter_BALL::ShiftedLVMMMinimizerprotected
force_field_BALL::EnergyMinimizerprotected
force_update_counter_BALL::EnergyMinimizerprotected
GEOMETRIC_MEAN enum valueBALL::ShiftedLVMMMinimizer
getCorrectionParameter() const BALL::ShiftedLVMMMinimizer
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
getMaxNumOfColumns() const BALL::ShiftedLVMMMinimizer
getMaxSameEnergy() const BALL::EnergyMinimizer
getNumberOfIterations() const BALL::EnergyMinimizer
getSnapShotFrequency() const BALL::EnergyMinimizer
getUpdateMethod() const BALL::ShiftedLVMMMinimizer
grad_diff_BALL::ShiftedLVMMMinimizerprotected
hess_factor_BALL::ShiftedLVMMMinimizerprotected
initial_atoms_BALL::ShiftedLVMMMinimizerprotected
initial_energy_BALL::EnergyMinimizerprotected
initial_grad_BALL::EnergyMinimizerprotected
isConverged() const BALL::EnergyMinimizervirtual
isValid() const BALL::EnergyMinimizer
line_search_BALL::ShiftedLVMMMinimizerprotected
max_gradient_BALL::EnergyMinimizerprotected
max_number_of_cols_BALL::ShiftedLVMMMinimizerprotected
max_same_energy_BALL::EnergyMinimizerprotected
maximal_number_of_iterations_BALL::EnergyMinimizerprotected
maximum_displacement_BALL::EnergyMinimizerprotected
minimize(Size iterations=0, bool resume=false)BALL::ShiftedLVMMMinimizervirtual
number_of_atoms_BALL::ShiftedLVMMMinimizerprotected
number_of_iterations_BALL::EnergyMinimizerprotected
old_energy_BALL::EnergyMinimizerprotected
old_grad_BALL::EnergyMinimizerprotected
operator=(const ShiftedLVMMMinimizer &rhs)BALL::ShiftedLVMMMinimizer
BALL::EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer)BALL::EnergyMinimizer
operator==(const EnergyMinimizer &energy_minimizer)BALL::EnergyMinimizer
optionsBALL::EnergyMinimizer
prev_shift_val_BALL::ShiftedLVMMMinimizerprotected
printEnergy() const BALL::EnergyMinimizervirtual
RANK_1 enum valueBALL::ShiftedLVMMMinimizer
RANK_2 enum valueBALL::ShiftedLVMMMinimizer
RATIO_OF_SHIFT_PARAMS enum valueBALL::ShiftedLVMMMinimizer
same_energy_counter_BALL::EnergyMinimizerprotected
setCorrectionParameter(CorrectionParameter corr)BALL::ShiftedLVMMMinimizer
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
setMaxNumOfColumns(Size num)BALL::ShiftedLVMMMinimizer
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 updt)BALL::ShiftedLVMMMinimizer
shift_s_BALL::ShiftedLVMMMinimizerprotected
shifted_direction_BALL::ShiftedLVMMMinimizerprotected
ShiftedLVMMMinimizer()BALL::ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field)BALL::ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field, SnapShotManager *ssm)BALL::ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field, SnapShotManager *ssm, const Options &options)BALL::ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(ForceField &force_field, const Options &options)BALL::ShiftedLVMMMinimizer
ShiftedLVMMMinimizer(const ShiftedLVMMMinimizer &rhs)BALL::ShiftedLVMMMinimizer
snapshot_BALL::EnergyMinimizerprotected
snapshot_frequency_BALL::EnergyMinimizerprotected
specificSetup()BALL::ShiftedLVMMMinimizervirtual
SQUARE_ROOT enum valueBALL::ShiftedLVMMMinimizer
step_BALL::EnergyMinimizerprotected
storeGradientEnergy()BALL::EnergyMinimizer
takeSnapShot() const BALL::EnergyMinimizervirtual
UNIT_VALUE enum valueBALL::ShiftedLVMMMinimizer
updateDirection()BALL::ShiftedLVMMMinimizervirtual
updateEnergy()BALL::EnergyMinimizervirtual
updateForces()BALL::EnergyMinimizervirtual
UpdateMethod enum nameBALL::ShiftedLVMMMinimizer
updt_method_BALL::ShiftedLVMMMinimizerprotected
updt_u_BALL::ShiftedLVMMMinimizerprotected
updt_v_BALL::ShiftedLVMMMinimizerprotected
valid_BALL::EnergyMinimizerprotected
wasAborted() const BALL::EnergyMinimizer
~EnergyMinimizer()BALL::EnergyMinimizervirtual
~ShiftedLVMMMinimizer()BALL::ShiftedLVMMMinimizervirtual