Class Scine::Utils::ConvergenceAcceleratorFactory¶
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class
ConvergenceAcceleratorFactory¶ The ConvergenceAcceleratorFactory class provides the register of the available convergence accelerators.
This class also creates pointer to the desired Scf convergence accelerators. In the code convergence accelerators are often referred to as “mixers”.
Public Static Functions
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static std::unique_ptr<ScfModifier>
createMixer(scf_mixer_t mixerID)¶ Factory method to create a convergence accelerator.
- Return
A std::unique_ptr<ScfModifier> representing a polymorphic pointer to a convergence accelerator.
- Parameters
mixerID: The corresponding enum class member.
Public Static Attributes
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scf_mixer_t
defaultMixer¶ Returns the enum class member corresponding to the default convergence accelerator.
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struct
MixerDescriptor¶ Small struct used as a map between string name and enum ID.
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static std::unique_ptr<ScfModifier>