/* * PartialChargesMap.hpp * * Created on: Jun 12, 2016 * Author: heber */ #ifndef PARTIALCHARGESMAP_HPP_ #define PARTIALCHARGESMAP_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include #include #include "Fragmentation/Summation/Containers/PartialChargesFused.hpp" class IndexedPartialCharges; /** This boost::fusion map defines key-value or rather key-type pairs with * which we associate all forces data members in MPQCData and their type. * * This lets us resolves any ambiguitites of types in MPQCData, e.g. * to know vector is forces or energy_eigenvalues. * */ typedef boost::fusion::map< boost::fusion::pair > PartialChargesMap_t; typedef boost::mpl::list< PartialChargesFused::partial_charges_t > PartialChargesVector_t; #endif /* PARTIALCHARGESMAP_HPP_ */