Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include <Utils/Math/AutomaticDifferentiation/MethodsHelpers.h>
#include <Utils/Typenames.h>
#include <Eigen/Core>
Go to the source code of this file.
Classes | |
class | Scine::Sparrow::nddo::OneElectronMatrix |
This class generates the one-electron matrix H for semi-empirical methods. More... | |