Scine::Sparrow
5.0.0
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/Dftb3/DFTB3.h>
#include <Utils/Technical/CloneInterface.h>
#include <string>
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Classes | |
class | Scine::Sparrow::DFTB3MethodWrapper |
A method wrapper handling DFTB3 calculations. More... | |