operator_diagnostics.h File Reference

#include <map>
#include <string>
#include <vector>
#include <madness/mra/mra.h>
#include <madness/chem/ccpairfunction.h>

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Classes
struct	madness::DiagnosticEntry< T >
class	madness::DiagnosticMatrix< T, NDIM >

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

Functions
template<typename T, std::size_t LDIM>
	madness::DiagnosticMatrix (World &, std::vector< Function< T, LDIM > >) -> DiagnosticMatrix< T, 2 *LDIM >
template<typename T, std::size_t LDIM>
	madness::DiagnosticMatrix (World &, std::vector< Function< T, LDIM > >, bool) -> DiagnosticMatrix< T, 2 *LDIM >
template<typename T, std::size_t NDIM>
Tensor< T >	madness::pair_energy_weights (World &world, const std::vector< Function< T, NDIM/2 > > &observer, const Function< T, NDIM/2 > &phi_i_bra, const Function< T, NDIM/2 > &phi_j_bra, const std::vector< Function< T, NDIM/2 > > &occ_ket, const std::vector< Function< T, NDIM/2 > > &occ_bra, const SeparatedConvolution< T, NDIM/2 > &g12)
template<typename T, std::size_t NDIM>
void	madness::print_pair_energy_report (const DiagnosticMatrix< T, NDIM > &dm, const std::vector< std::string > &pieces, const std::vector< double > &signs, const std::string &title)
template<typename T, std::size_t NDIM>
void	madness::print_pair_energy_report_RI (const DiagnosticMatrix< T, NDIM > &dm, const std::vector< std::string > &pieces, const std::vector< double > &signs, const Tensor< T > &W, double factor, const std::string &title)
template<typename T, std::size_t NDIM>
void	madness::print_pair_energy_table_RI (const DiagnosticMatrix< T, NDIM > &dm, const std::vector< std::string > &pieces, const std::vector< std::string > &labels, const std::vector< double > &energy6d, const Tensor< T > &W, double factor, const std::string &title)