Sto6gParameters.h File Reference

#include "Utils/DataStructures/AtomicGtos.h"
#include <unordered_map>

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Functions
std::unordered_map< int, Utils::AtomicGtos >	Scine::Sparrow::Sto6g::rm1 ()
	Default parameters for RM1.
std::unordered_map< int, Utils::AtomicGtos >	Scine::Sparrow::Sto6g::am1 ()
	Default parameters for AM1.
std::unordered_map< int, Utils::AtomicGtos >	Scine::Sparrow::Sto6g::pm3 ()
	Default parameters for PM3.
std::unordered_map< int, Utils::AtomicGtos >	Scine::Sparrow::Sto6g::pm6 ()
	Default parameters for PM6.
std::unordered_map< int, Utils::AtomicGtos >	Scine::Sparrow::Sto6g::mndo ()
	Default parameters for MNDO.
std::unordered_map< int, Utils::AtomicGtos >	Scine::Sparrow::Sto6g::dftb ()
	Default parameters for DFTB.

Detailed Description

Copyright

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