Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include <Utils/Math/AutomaticDifferentiation/MethodsTypesHelper.h>
#include <Utils/Typenames.h>
#include <Eigen/Core>
Go to the source code of this file.
Classes | |
class | Scine::Sparrow::nddo::TwoElectronMatrix |
Class to generate the two-electron matrix G for semi-empirical methods. This class is parallelized with OpenMP. More... | |