Class Scine::Core::WavefunctionOutputGenerator

class WavefunctionOutputGenerator : public Scine::Core::StateHandableObject, public Scine::Core::ObjectWithStructure

Interface class defining an entity able to generate a wavefunction output file.

Public Functions

virtual void generateWavefunctionInformation(const std::string &out) = 0

Dumps the wavefunction information in a file.

This function is not const, as it might be necessary to perform an SCF calculation beforehand or any other computation that changes members of a derived class.

Parameters

  • out: The name of the file to which to dump to.

virtual void generateWavefunctionInformation(std::ostream &out) = 0

Dumps the wavefunction information in a stream.

This function can be used to implement the previous overload. This function is not const, as it might be necessary to perform an SCF calculation beforehand or any other computation that changes members of a derived class.

Parameters

  • out: The stream to which to dump to.

virtual Utils::Settings &settings() = 0

Accessor for the settings.

Return

Utils::Settings& The settings.

virtual const Utils::Settings &settings() const = 0

Constant accessor for the settings.

Return

const Utils::Settings& The settings.