TRIQS/triqs_modest 3.3.0
Modular Electronic Structure Toolkit
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triqs::modest::atomic_orbs

#include <triqs_modest/local_space.hpp>

Detailed Description

Info on an atomic shell.

Definition at line 37 of file local_space.hpp.

Public Member Functions

void deserialize (auto &ar)
bool operator== (atomic_orbs const &) const =default
 Equality comparison operator.
void serialize (auto &ar) const

Public Attributes

long cls_idx = 0
 Equivalent atoms will have the same sort index (sort).
long dft_idx = 0
 Index of the atom in the dft code if any, or \( -1 \).
long dim = 0
 Dimension of the orbital space.
long l = 0
 Angular quantum number.

Friends

C2PY_IGNORE friend void mpi_broadcast (atomic_orbs &x, mpi::communicator c={}, int root=0)
 MPI broadcast.

Member Function Documentation

◆ deserialize()

void triqs::modest::atomic_orbs::deserialize ( auto & ar)
inline

Definition at line 44 of file local_space.hpp.

◆ operator==()

bool triqs::modest::atomic_orbs::operator== ( atomic_orbs const & ) const
default

Equality comparison operator.

◆ serialize()

void triqs::modest::atomic_orbs::serialize ( auto & ar) const
inline

Definition at line 43 of file local_space.hpp.

◆ mpi_broadcast

C2PY_IGNORE friend void mpi_broadcast ( atomic_orbs & x,
mpi::communicator c = {},
int root = 0 )
friend

MPI broadcast.

Definition at line 50 of file local_space.hpp.

Member Data Documentation

◆ cls_idx

long triqs::modest::atomic_orbs::cls_idx = 0

Equivalent atoms will have the same sort index (sort).

Definition at line 40 of file local_space.hpp.

◆ dft_idx

long triqs::modest::atomic_orbs::dft_idx = 0

Index of the atom in the dft code if any, or \( -1 \).

Definition at line 41 of file local_space.hpp.

◆ dim

long triqs::modest::atomic_orbs::dim = 0

Dimension of the orbital space.

Definition at line 38 of file local_space.hpp.

◆ l

long triqs::modest::atomic_orbs::l = 0

Angular quantum number.

Definition at line 39 of file local_space.hpp.


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