Class Scine::Utils::IRCOptimizerSettings

template<class OptimizerType, class ConvergenceCheckType>
class IRCOptimizerSettings : public Scine::Utils::Settings

Settings for an IRCOptimizer.

Uses template arguments in order to automatically include the settings of underlying objects into the given settings.

Template Parameters

• OptimizerType: The underlying Optimizer class.

• ConvergenceCheckType: The underlying ConvergenceCheck class.

Public Functions

IRCOptimizerSettings(const IRCOptimizerBase &ircBase, const OptimizerType &optimizer, const ConvergenceCheckType &check)

Construct a new IRCOptimizerSettings object.

Sets the default values of the settings to the current values set in the objects given to the constructor.

Parameters

• ircBase: The IRC optimizer.

• optimizer: The optimizer.

• check: The convergence check criteria.