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

#include <wavefunction.h>

Public Member Functions

auto operator- (const Energy &rhs)
 
auto operator+ (const Energy &rhs)
 
std::string to_string () const
 

Public Attributes

double coulomb {0}
 
double exchange {0}
 
double nuclear_repulsion {0}
 
double nuclear_attraction {0}
 
double kinetic {0}
 
double core {0}
 
double total {0}
 
double ecp {0}
 

Member Function Documentation

◆ operator+()

auto occ::qm::Energy::operator+ ( const Energy &  rhs)
inline

◆ operator-()

auto occ::qm::Energy::operator- ( const Energy &  rhs)
inline

◆ to_string()

std::string occ::qm::Energy::to_string ( ) const
inline

Member Data Documentation

◆ core

double occ::qm::Energy::core {0}

◆ coulomb

double occ::qm::Energy::coulomb {0}

◆ ecp

double occ::qm::Energy::ecp {0}

◆ exchange

double occ::qm::Energy::exchange {0}

◆ kinetic

double occ::qm::Energy::kinetic {0}

◆ nuclear_attraction

double occ::qm::Energy::nuclear_attraction {0}

◆ nuclear_repulsion

double occ::qm::Energy::nuclear_repulsion {0}

◆ total

double occ::qm::Energy::total {0}
The documentation for this struct was generated from the following file: