mp2.h File Reference

Solves molecular MP2 equations. More...

#include <madness/mra/mra.h>
#include <madness/mra/lbdeux.h>
#include "madness/mra/QCCalculationParametersBase.h"
#include <madness/chem/SCF.h>
#include <madness/mra/nonlinsol.h>
#include <madness/chem/projector.h>
#include <madness/chem/correlationfactor.h>
#include <madness/chem/electronic_correlation_factor.h>
#include <madness/chem/MolecularOrbitals.h>
#include <madness/chem/nemo.h>
#include <madness/world/text_fstream_archive.h>
#include <iostream>

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Classes
class	madness::ElectronPair
	enhanced POD for the pair functions More...
class	madness::HartreeFock< T, NDIM >
struct	madness::LBCost
class	madness::MP2
	a class for computing the first order wave function and MP2 pair energies More...
struct	madness::MP2::Pairs< T >
	POD holding all electron pairs with easy access. More...
struct	madness::MP2::Parameters
	POD for MP2 keywords. More...
class	TextFstreamInputArchive
	Wraps an archive around a text filestream for input. More...
class	TextFstreamOutputArchive
	Wraps an archive around a text filestream for output. More...

Namespaces
namespace	madness
	Namespace for all elements and tools of MADNESS.

Detailed Description

Solves molecular MP2 equations.