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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 <Sparrow/Implementations/Nddo/Utils/IntegralsEvaluationUtils/AtomPairOverlap.h>#include <Utils/DataStructures/AtomicGtos.h>#include <Utils/DataStructures/GtoExpansion.h>#include <Utils/DataStructures/SlaterToGaussian.h>#include <gmock/gmock.h>#include <Eigen/Core>#include <memory>
Classes | |
| class | Scine::Sparrow::AAtomPairOverlapMatrix |
Functions | |
| Scine::Sparrow::TEST_F (AAtomPairOverlapMatrix, ReturnsAtomPairBlockOfCorrectSize) | |
| Scine::Sparrow::TEST_F (AAtomPairOverlapMatrix, ReturnsIdentityForOverlapOfAtomWithItself) | |