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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::EnergyMinimizer | protected
abort_energy_ | BALL::EnergyMinimizer | protected
aborted_ | BALL::EnergyMinimizer | protected
BALANCING_VALUE enum value | BALL::ShiftedLVMMMinimizer |
corr_par_ | BALL::ShiftedLVMMMinimizer | protected
CorrectionParameter enum name | BALL::ShiftedLVMMMinimizer |
curr_number_of_cols_ | BALL::ShiftedLVMMMinimizer | 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::ShiftedLVMMMinimizer | virtual
finishIteration() | BALL::EnergyMinimizer | virtual
first_iter_ | BALL::ShiftedLVMMMinimizer | protected
force_field_ | BALL::EnergyMinimizer | protected
force_update_counter_ | BALL::EnergyMinimizer | protected
GEOMETRIC_MEAN enum value | BALL::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::ShiftedLVMMMinimizer | protected
hess_factor_ | BALL::ShiftedLVMMMinimizer | protected
initial_atoms_ | BALL::ShiftedLVMMMinimizer | protected
initial_energy_ | BALL::EnergyMinimizer | protected
initial_grad_ | BALL::EnergyMinimizer | protected
isConverged() const | BALL::EnergyMinimizer | virtual
isValid() const | BALL::EnergyMinimizer |
line_search_ | BALL::ShiftedLVMMMinimizer | protected
max_gradient_ | BALL::EnergyMinimizer | protected
max_number_of_cols_ | BALL::ShiftedLVMMMinimizer | protected
max_same_energy_ | BALL::EnergyMinimizer | protected
maximal_number_of_iterations_ | BALL::EnergyMinimizer | protected
maximum_displacement_ | BALL::EnergyMinimizer | protected
minimize(Size iterations=0, bool resume=false) | BALL::ShiftedLVMMMinimizer | virtual
number_of_atoms_ | BALL::ShiftedLVMMMinimizer | protected
number_of_iterations_ | BALL::EnergyMinimizer | protected
old_energy_ | BALL::EnergyMinimizer | protected
old_grad_ | BALL::EnergyMinimizer | protected
operator=(const ShiftedLVMMMinimizer &rhs) | BALL::ShiftedLVMMMinimizer |
BALL::EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer |
operator==(const EnergyMinimizer &energy_minimizer) | BALL::EnergyMinimizer |
options | BALL::EnergyMinimizer |
prev_shift_val_ | BALL::ShiftedLVMMMinimizer | protected
printEnergy() const | BALL::EnergyMinimizer | virtual
RANK_1 enum value | BALL::ShiftedLVMMMinimizer |
RANK_2 enum value | BALL::ShiftedLVMMMinimizer |
RATIO_OF_SHIFT_PARAMS enum value | BALL::ShiftedLVMMMinimizer |
same_energy_counter_ | BALL::EnergyMinimizer | protected
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::ShiftedLVMMMinimizer | protected
shifted_direction_ | BALL::ShiftedLVMMMinimizer | protected
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::EnergyMinimizer | protected
snapshot_frequency_ | BALL::EnergyMinimizer | protected
specificSetup() | BALL::ShiftedLVMMMinimizer | virtual
SQUARE_ROOT enum value | BALL::ShiftedLVMMMinimizer |
step_ | BALL::EnergyMinimizer | protected
storeGradientEnergy() | BALL::EnergyMinimizer |
takeSnapShot() const | BALL::EnergyMinimizer | virtual
UNIT_VALUE enum value | BALL::ShiftedLVMMMinimizer |
updateDirection() | BALL::ShiftedLVMMMinimizer | virtual
updateEnergy() | BALL::EnergyMinimizer | virtual
updateForces() | BALL::EnergyMinimizer | virtual
UpdateMethod enum name | BALL::ShiftedLVMMMinimizer |
updt_method_ | BALL::ShiftedLVMMMinimizer | protected
updt_u_ | BALL::ShiftedLVMMMinimizer | protected
updt_v_ | BALL::ShiftedLVMMMinimizer | protected
valid_ | BALL::EnergyMinimizer | protected
wasAborted() const | BALL::EnergyMinimizer |
~EnergyMinimizer() | BALL::EnergyMinimizer | virtual
~ShiftedLVMMMinimizer() | BALL::ShiftedLVMMMinimizer | virtual