Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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DFTB0Settings.h File Reference
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Classes

class  Scine::Sparrow::DFTB0Settings
 The Settings specific to the DFTB0 method, a non SCF method. Please note that since DFTB0 is not an SCF method, it will not contain SCF options. Furthermore, it is not capable of performing calculation in unrestricted formalism. More...
 

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