Initialize a NeighborList
.
The cutoff
and full
options are mandatory, the other are optional
and default to .false.
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
real(kind=c_float), | intent(in) | :: | cutoff |
Spherical cutoff, only pairs below this cutoff will be included |
||
logical, | intent(in) | :: | full |
Should the returned neighbor list be a full list (include both |
||
logical, | intent(in), | optional | :: | sorted |
Should the neighbor list be sorted? If yes, the returned pairs will be sorted using lexicographic order. |
|
logical, | intent(in), | optional | :: | return_shifts |
Should the returned |
|
logical, | intent(in), | optional | :: | return_distances |
Should the returned |
|
logical, | intent(in), | optional | :: | return_vectors |
Should the returned |
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
real(kind=c_double), | intent(in) | :: | cutoff |
Spherical cutoff, only pairs below this cutoff will be included |
||
logical, | intent(in) | :: | full |
Should the returned neighbor list be a full list (include both |
||
logical, | intent(in), | optional | :: | sorted |
Should the neighbor list be sorted? If yes, the returned pairs will be sorted using lexicographic order. |
|
logical, | intent(in), | optional | :: | return_shifts |
Should the returned |
|
logical, | intent(in), | optional | :: | return_distances |
Should the returned |
|
logical, | intent(in), | optional | :: | return_vectors |
Should the returned |