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Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Files | |
| file | AtomicParametersTest.cpp |
| file | AtomPairOverlapMatrixTest.cpp |
| file | ChargePairTest.cpp |
| file | ChargesInMultipolesTest.cpp |
| file | LocalIntegralTest.cpp |
| file | MultipoleChargeTest.cpp |
| file | MultipoleParametersTest.cpp |
| file | oneCenterSlaterIntegralTest.cpp |
| file | oneCenterTwoElectronIntegralsTest.cpp |
| file | OverlapMatrixBlockTest.cpp |
| file | OverlapMatrixTest.cpp |
| file | PairwiseParametersTest.cpp |
| file | RawParametersProcessingTest.cpp |
| file | SlaterCondonTest.cpp |
| file | Sto6gBasisTest.cpp |
| file | VuvBMatrixTest.cpp |