Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
Go to the source code of this file.
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... | |