, including all inherited members.
a_i_ | ConjugateGradientMinimizer | [protected] |
abort_by_energy_enabled_ (defined in EnergyMinimizer) | EnergyMinimizer | [protected] |
abort_energy_ (defined in EnergyMinimizer) | EnergyMinimizer | [protected] |
aborted_ (defined in EnergyMinimizer) | EnergyMinimizer | [protected] |
b_i_ | ConjugateGradientMinimizer | [protected] |
ConjugateGradientMinimizer() | ConjugateGradientMinimizer | |
ConjugateGradientMinimizer(ForceField &force_field) | ConjugateGradientMinimizer | |
ConjugateGradientMinimizer(ForceField &force_field, SnapShotManager *ssm) | ConjugateGradientMinimizer | |
ConjugateGradientMinimizer(ForceField &force_field, SnapShotManager *ssm, const Options &options) | ConjugateGradientMinimizer | |
ConjugateGradientMinimizer(ForceField &force_field, const Options &options) | ConjugateGradientMinimizer | |
ConjugateGradientMinimizer(const ConjugateGradientMinimizer &rhs) | ConjugateGradientMinimizer | |
current_energy_ | EnergyMinimizer | [protected] |
current_grad_ | EnergyMinimizer | [protected] |
cutlo_ | EnergyMinimizer | [protected] |
D_1_ | ConjugateGradientMinimizer | [protected] |
D_4_ | ConjugateGradientMinimizer | [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() | ConjugateGradientMinimizer | [virtual] |
finishIteration() | EnergyMinimizer | [virtual] |
first_iter_ | ConjugateGradientMinimizer | [protected] |
FLETCHER_REEVES enum value | ConjugateGradientMinimizer | |
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 | |
getUpdateMethod() const | ConjugateGradientMinimizer | |
initial_energy_ | EnergyMinimizer | [protected] |
initial_grad_ | EnergyMinimizer | [protected] |
isConverged() const | EnergyMinimizer | [virtual] |
isValid() const | EnergyMinimizer | |
last_restart_iter_ | ConjugateGradientMinimizer | [protected] |
line_search_ | ConjugateGradientMinimizer | [protected] |
max_gradient_ | EnergyMinimizer | [protected] |
max_same_energy_ | EnergyMinimizer | [protected] |
maximal_number_of_iterations_ | EnergyMinimizer | [protected] |
maximum_displacement_ | EnergyMinimizer | [protected] |
minimize(Size iterations=0, bool resume=false) | ConjugateGradientMinimizer | [virtual] |
number_of_atoms_ | ConjugateGradientMinimizer | [protected] |
number_of_iterations_ | EnergyMinimizer | [protected] |
old_energy_ | EnergyMinimizer | [protected] |
old_grad_ | EnergyMinimizer | [protected] |
old_gtg_ | ConjugateGradientMinimizer | [protected] |
operator=(const ConjugateGradientMinimizer &rhs) | ConjugateGradientMinimizer | |
EnergyMinimizer::operator=(const EnergyMinimizer &energy_minimizer) | EnergyMinimizer | |
operator==(const EnergyMinimizer &energy_minimizer) | EnergyMinimizer | |
options | EnergyMinimizer | |
p_i_ | ConjugateGradientMinimizer | [protected] |
p_t_ | ConjugateGradientMinimizer | [protected] |
POLAK_RIBIERE enum value | ConjugateGradientMinimizer | |
printEnergy() const | EnergyMinimizer | [virtual] |
restart_frequency_ | ConjugateGradientMinimizer | [protected] |
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 | |
setUpdateMethod(UpdateMethod method) | ConjugateGradientMinimizer | |
SHANNO enum value | ConjugateGradientMinimizer | |
snapshot_ | EnergyMinimizer | [protected] |
snapshot_frequency_ | EnergyMinimizer | [protected] |
specificSetup() | ConjugateGradientMinimizer | [virtual] |
step_ | EnergyMinimizer | [protected] |
storeGradientEnergy() | EnergyMinimizer | |
takeSnapShot() const | EnergyMinimizer | [virtual] |
unscaled_direction_ | ConjugateGradientMinimizer | [protected] |
updateDirection() | ConjugateGradientMinimizer | [virtual] |
updateEnergy() | EnergyMinimizer | [virtual] |
updateForces() | EnergyMinimizer | [virtual] |
UpdateMethod enum name | ConjugateGradientMinimizer | |
updt_method_ | ConjugateGradientMinimizer | [protected] |
valid_ | EnergyMinimizer | [protected] |
wasAborted() const | EnergyMinimizer | |
y_i_ | ConjugateGradientMinimizer | [protected] |
y_t_ | ConjugateGradientMinimizer | [protected] |
~ConjugateGradientMinimizer() | ConjugateGradientMinimizer | [virtual] |
~EnergyMinimizer() | EnergyMinimizer | [virtual] |