SCFOperators.h File Reference

Operators for the molecular HF and DFT code. More...

#include <madness.h>
#include <madness/mra/macrotaskq.h>

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Classes
class	madness::Coulomb< T, NDIM >
class	madness::DerivativeOperator< T, NDIM >
class	madness::DNuclear< T, NDIM >
	derivative of the (regularized) nuclear potential wrt nuclear displacements More...
class	madness::Exchange< T, NDIM >
struct	madness::XCOperator< T, NDIM >::expme
	simple structure to take the pointwise exponential of a function, shifted by +14 More...
struct	madness::XCOperator< T, NDIM >::expme::expme1
class	madness::Fock< T, NDIM >
	Computes matrix representation of the Fock operator. More...
class	madness::Kinetic< T, NDIM >
class	madness::Laplacian< T, NDIM >
	the Laplacian operator: \sum_i \nabla^2_i More...
class	madness::LocalPotentialOperator< T, NDIM >
struct	madness::XCOperator< T, NDIM >::logme
	simple structure to take the pointwise logarithm of a function, shifted by +14 More...
struct	madness::XCOperator< T, NDIM >::logme::logme1
class	madness::Lz< T, NDIM >
	the z component of the angular momentum More...
class	madness::Coulomb< T, NDIM >::MacroTaskCoulomb
class	madness::Coulomb< T, NDIM >::MacroTaskCoulomb::MacroTaskPartitionerCoulomb
class	madness::Nuclear< T, NDIM >
class	madness::SCFOperatorBase< T, NDIM >
class	madness::XCOperator< T, NDIM >
	operator class for the handling of DFT exchange-correlation functionals More...

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

Detailed Description

Operators for the molecular HF and DFT code.