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Public Member Functions | Public Attributes | List of all members
q3::paw_one_center::OneCenterEnergy Struct Reference

Both branches, kept separate so a gate failure can be localized. More...

#include <energy.hpp>

Public Member Functions

Real total () const
 E¹ − Ẽ¹, the quantity that enters the total energy.
 

Public Attributes

OneCenterBranch all_electron
 
OneCenterBranch pseudo
 

Detailed Description

Both branches, kept separate so a gate failure can be localized.

Definition at line 137 of file energy.hpp.

Member Function Documentation

◆ total()

Real q3::paw_one_center::OneCenterEnergy::total ( ) const
inline

E¹ − Ẽ¹, the quantity that enters the total energy.

Definition at line 142 of file energy.hpp.

References all_electron, q3::paw_one_center::OneCenterBranch::hartree_energy, pseudo, and q3::paw_one_center::OneCenterBranch::xc_energy.

Member Data Documentation

◆ all_electron

OneCenterBranch q3::paw_one_center::OneCenterEnergy::all_electron

Definition at line 138 of file energy.hpp.

Referenced by total().

◆ pseudo

OneCenterBranch q3::paw_one_center::OneCenterEnergy::pseudo

Definition at line 139 of file energy.hpp.

Referenced by total().

The documentation for this struct was generated from the following file: