#include <madness/world/MADworld.h>#include <madness/mra/mra.h>#include <madness/mra/funcplot.h>#include <exception>#include <iterator>#include <list>#include <madness/chem/SCF.h>
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Classes | |
| class | madness::AC< NDIM > |
| struct | madness::ACParameters< NDIM > |
| Contains all the parameters for the asymptotic correction. More... | |
| struct | madness::atom_information< NDIM > |
| Needed information about atom to compute asymptotic correction. More... | |
| struct | madness::BinaryOpStructure< NDIM > |
| computes the corrected exchange correlation potential using the hartree potential More... | |
| class | madness::int_factor_functor< NDIM > |
| Functor for the correction factor, which is multiplied with the exchange correlation potential. More... | |
| class | madness::lr_pot_functor< NDIM > |
| Functor for the 1/r potential to induce the correct asymptotic behaviour of the exchange correlation potential. More... | |
| struct | madness::UnaryOpStructure< NDIM > |
| computes the corrected exchange correlation potential using the multipole approximation More... | |
Namespaces | |
| madness | |
| File holds all helper structures necessary for the CC_Operator and CC2 class. | |
Functions | |
| std::vector< atom_information< 3 > > | madness::make_atom_vec (const Molecule &molecule, double R1_, double R2_) |
| double | madness::slater_radius (int atomic_number) |
