Scine::Sparrow  3.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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ParameterSets.cpp File Reference
#include "Sparrow/Resources/Dftb/ParameterSets.h"
#include "Sparrow/Resources/Dftb/3ob-2-1/Parameters.h"
#include "Sparrow/Resources/Dftb/3ob-3-1/Parameters.h"
#include "Sparrow/Resources/Dftb/borg-0-1/Parameters.h"
#include "Sparrow/Resources/Dftb/hyb-0-2/Parameters.h"
#include "Sparrow/Resources/Dftb/mio-0-1/Parameters.h"
#include "Sparrow/Resources/Dftb/mio-1-1/Parameters.h"
#include "Sparrow/Resources/Dftb/trans3d-0-1/Parameters.h"
#include "Sparrow/Resources/Dftb/znorg-0-1/Parameters.h"
Include dependency graph for ParameterSets.cpp:

Functions

boost::optional< ParameterSet > Scine::Sparrow::dftb::embeddedParameters (const std::string &name, const std::vector< int > &elements)
 

Detailed Description

Copyright
This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Laboratory of Physical Chemistry, Reiher Group.
See LICENSE.txt for details.