SIRIUS 7.5.0
Electronic structure library and applications
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Descriptor of an atom in a list of nearest neighbours for each atom. More...
#include <typedefs.hpp>
Public Attributes | |
int | atom_id |
Index of the neighbouring atom. More... | |
std::array< int, 3 > | translation |
Translation in fractional coordinates. More... | |
double | distance |
Distance from the central atom. More... | |
std::array< double, 3 > | rc |
Vector connecting central atom with the neighbour in Cartesian coordinates. More... | |
Descriptor of an atom in a list of nearest neighbours for each atom.
See sirius::Unit_cell::find_nearest_neighbours() for the details of usage.
Definition at line 159 of file typedefs.hpp.
int sirius::nearest_neighbour_descriptor::atom_id |
Index of the neighbouring atom.
Definition at line 162 of file typedefs.hpp.
std::array<int, 3> sirius::nearest_neighbour_descriptor::translation |
Translation in fractional coordinates.
Definition at line 165 of file typedefs.hpp.
double sirius::nearest_neighbour_descriptor::distance |
Distance from the central atom.
Definition at line 168 of file typedefs.hpp.
std::array<double, 3> sirius::nearest_neighbour_descriptor::rc |
Vector connecting central atom with the neighbour in Cartesian coordinates.
Definition at line 171 of file typedefs.hpp.