Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::RealTimeSpectroscopy::GeometryOptimizationProfile Struct Referenceabstract
Inheritance diagram for Scine::Sparrow::RealTimeSpectroscopy::GeometryOptimizationProfile:
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Collaboration diagram for Scine::Sparrow::RealTimeSpectroscopy::GeometryOptimizationProfile:
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Public Member Functions

 GeometryOptimizationProfile (Utils::Settings settings)
 
Utils::Settings toSettings ()
 
virtual void applyProfile (Utils::Settings &settings)=0
 
The documentation for this struct was generated from the following file: