Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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PM6RepulsionEnergy.cpp File Reference
#include "PM6RepulsionEnergy.h"
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/ElementPairParameters.h>
#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/ElementParameters.h>
#include <Utils/Math/AtomicSecondDerivativeCollection.h>
Include dependency graph for PM6RepulsionEnergy.cpp:

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Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.