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Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include "Repulsion.h"#include "PairwiseRepulsion.h"#include <Utils/Geometry/ElementInfo.h>#include <Utils/Math/AutomaticDifferentiation/MethodsHelpers.h>#include <Utils/Typenames.h>