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Public Member Functions | Public Attributes | List of all members
occ::qm::cc::MPnEnergies Struct Reference

Moller-Plesset correlation energies through fourth order (canonical RHF). More...

#include <ccsd.h>

Public Member Functions

double mp3 () const
 
double mp4_sdq () const
 
double mp4 () const
 

Public Attributes

double e2 {0.0}
 
double e3 {0.0}
 
double e4_singles {0.0}
 
double e4_doubles {0.0}
 
double e4_triples {0.0}
 
double e4_quadruples {0.0}
 

Detailed Description

Moller-Plesset correlation energies through fourth order (canonical RHF).

Member Function Documentation

◆ mp3()

double occ::qm::cc::MPnEnergies::mp3 ( ) const
inline

◆ mp4()

double occ::qm::cc::MPnEnergies::mp4 ( ) const
inline

◆ mp4_sdq()

double occ::qm::cc::MPnEnergies::mp4_sdq ( ) const
inline

Member Data Documentation

◆ e2

double occ::qm::cc::MPnEnergies::e2 {0.0}

◆ e3

double occ::qm::cc::MPnEnergies::e3 {0.0}

◆ e4_doubles

double occ::qm::cc::MPnEnergies::e4_doubles {0.0}

◆ e4_quadruples

double occ::qm::cc::MPnEnergies::e4_quadruples {0.0}

◆ e4_singles

double occ::qm::cc::MPnEnergies::e4_singles {0.0}

◆ e4_triples

double occ::qm::cc::MPnEnergies::e4_triples {0.0}
The documentation for this struct was generated from the following file: