File DFTB0Settings.h¶
- Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory for Physical Chemistry, Reiher Group.
See LICENSE.txt for details.
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namespace
Scine -
namespace
Sparrow -
class
DFTB0Settings: public Settings - #include <DFTB0Settings.h>
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.
Public Functions
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DFTB0Settings()¶
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class
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namespace