q3::WavefunctionAtomic Struct Reference

Atomic wavefunction from a pseudopotential. More...

#include <wavefunction_atomic.hpp>

Public Attributes
int	angular_momentum
std::string	label
Real	occupations
std::vector< Real >	radial_values

Detailed Description

Atomic wavefunction from a pseudopotential.

Definition at line 18 of file wavefunction_atomic.hpp.

Member Data Documentation

angular_momentum

int q3::WavefunctionAtomic::angular_momentum

Definition at line 20 of file wavefunction_atomic.hpp.

label

std::string q3::WavefunctionAtomic::label

Definition at line 19 of file wavefunction_atomic.hpp.

occupations

Real q3::WavefunctionAtomic::occupations

Definition at line 21 of file wavefunction_atomic.hpp.

radial_values

std::vector<Real> q3::WavefunctionAtomic::radial_values

Definition at line 22 of file wavefunction_atomic.hpp.

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

• src/layer_3_representation/pseudopotential/internal/wavefunction_atomic.hpp