File DFTBMethodWrapper.h¶

This function hides the templated generic function in.

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.

namespace Scine

namespace Sparrow

class DFTBMethodWrapper : public Utils::CloneInterface<Utils::Abstract<DFTBMethodWrapper>, GenericMethodWrapper>

Public Functions

DFTBMethodWrapper()

Constructor.

It plays with the befriended states handler by giving it a *this reference.

Utils::PropertyList possibleProperties() const

Get the list of the possible properties to calculate analytically.

Since it is the same for all DFTB, have it stated here. If they diverge, override this in each method wrapper.

Protected Functions

template<class DFTBMethod> void copyInto(DFTBMethod &instance, const DFTBMethod &classToCopy)¶

Private Functions

Utils::Results assembleResults(const std::string &description) const¶

Friends