q3::HubbardSpecification Struct Reference

One user-specified Hubbard-active shell (input.hubbard[i]). More...

#include <hubbard.hpp>

Public Attributes
std::string	orbital_label
std::string	species_symbol
Real	u_rydberg

Detailed Description

One user-specified Hubbard-active shell (input.hubbard[i]).

Definition at line 35 of file hubbard.hpp.

Member Data Documentation

orbital_label

std::string q3::HubbardSpecification::orbital_label

Definition at line 37 of file hubbard.hpp.

species_symbol

std::string q3::HubbardSpecification::species_symbol

Definition at line 36 of file hubbard.hpp.

u_rydberg

Real q3::HubbardSpecification::u_rydberg

Definition at line 38 of file hubbard.hpp.

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

• src/layer_4_computation/effective_potential/internal/hubbard/hubbard.hpp