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Scine::Sparrow
3.1.0
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>

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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... | |