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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 "MNDOMethod.h"#include "MNDORepulsionEnergy.h"#include <Sparrow/Implementations/Nddo/Parameters.h>#include <Sparrow/Implementations/Nddo/Utils/FockMatrix.h>#include <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/OverlapMatrix.h>#include <Sparrow/Implementations/Nddo/Utils/NDDODensityGuess.h>#include <Sparrow/Implementations/Nddo/Utils/NDDOElectronicEnergyCalculator.h>#include <Sparrow/Implementations/Nddo/Utils/NDDOInitializer.h>#include <Utils/Scf/LcaoUtils/LcaoUtils.h>#include <Utils/Scf/MethodExceptions.h>#include <utility>