7 #ifndef SPARROW_LINEARRESPONSECALCULATOR_H
8 #define SPARROW_LINEARRESPONSECALCULATOR_H
10 #include <Core/Interfaces/CalculatorWithReference.h>
18 Eigen::MatrixXd singlet, triplet, unrestricted;
24 virtual void setGuess(std::shared_ptr<GuessSpecifier> guessVectorMatrix) = 0;
33 #endif // SPARROW_LINEARRESPONSECALCULATOR_H
virtual auto getGuess() const -> std::shared_ptr< GuessSpecifier >=0
Returns the guess in the full singles space (no pruning)
Definition: LinearResponseCalculator.h:15
Definition: LinearResponseCalculator.h:17
virtual void setGuess(std::shared_ptr< GuessSpecifier > guessVectorMatrix)=0
Sets the guess to be used in the next calculation. If empty, diagonal dominant guess will be used...