MADNESS 0.10.1
Classes | Namespaces | Functions
AC.h File Reference
#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

namespace  madness
 Namespace for all elements and tools of MADNESS.
 

Functions

std::vector< atom_information< 3 > > madness::make_atom_vec (const Molecule &molecule, double R1_, double R2_)
 
double madness::slater_radius (int atomic_number)