Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include "TDDFTBSigmaVectorEvaluator.h"
#include <Sparrow/Implementations/Dftb/TimeDependent/LinearResponse/BasisPruner.h>
#include <Sparrow/Implementations/Exceptions.h>
#include <Utils/Scf/LcaoUtils/ElectronicOccupation.h>
#include <iostream>
Functions | |
void | Scine::Sparrow::detail::negativeBetaTransitions (Eigen::Ref< Eigen::VectorXd > toTransform, const Eigen::Ref< const Eigen::Matrix< bool,-1, 1 >> &isBeta) |