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Scine::Sparrow
3.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include <Sparrow/Implementations/Dftb/DFTBMethodWrapper.h>#include <Sparrow/Implementations/Dftb/Dftb2/DFTB2.h>#include <string>

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Classes | |
| class | Scine::Sparrow::DFTB2MethodWrapper |
| A method wrapper handling DFTB2 calculations, also known as SCC-DFTB, self-consistent charge DFTB. More... | |