SwooseModule.cpp File Reference

#include "SwooseModule.h"
#include "MMParametrization/Parametrizer.h"
#include "MolecularMechanics/GAFF/GaffMolecularMechanicsCalculator.h"
#include "MolecularMechanics/SFAM/SfamMolecularMechanicsCalculator.h"
#include "QMMM/QmmmCalculator.h"
#include "StructurePreparation/StructureProcessor.h"
#include <Core/DerivedModule.h>
#include <Core/Exceptions.h>

Include dependency graph for SwooseModule.cpp:

Typedefs
using	Scine::Swoose::InterfaceModelMap = boost::mpl::map< boost::mpl::pair< Core::Calculator, boost::mpl::vector< Qmmm::QmmmCalculator, MolecularMechanics::SfamMolecularMechanicsCalculator, MolecularMechanics::GaffMolecularMechanicsCalculator >>, boost::mpl::pair< Core::MMParametrizer, boost::mpl::vector< MMParametrization::Parametrizer >>, boost::mpl::pair< Core::EmbeddingCalculator, boost::mpl::vector< Qmmm::QmmmCalculator >>>

Functions
std::vector< std::shared_ptr < Scine::Core::Module > >	Scine::Swoose::moduleFactory ()

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.