kim-api 2.4.1+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
 
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kim_model_compute_arguments_module::kim_get_neighbor_list Interface Reference

Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff distance. More...

Public Member Functions

recursive subroutine kim_model_compute_arguments_get_neighbor_list (model_compute_arguments_handle, neighbor_list_index, particle_number, number_of_neighbors, neighbors_of_particle, ierr)
 Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff distance.
 

Detailed Description

Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff distance.

See also
KIM::ModelComputeArguments::GetNeighborList, KIM_ModelComputeArguments_GetNeighborList
Since
2.0

Definition at line 95 of file kim_model_compute_arguments_module.f90.

Member Function/Subroutine Documentation

◆ kim_model_compute_arguments_get_neighbor_list()

recursive subroutine kim_model_compute_arguments_module::kim_get_neighbor_list::kim_model_compute_arguments_get_neighbor_list ( type(kim_model_compute_arguments_handle_type), intent(in) model_compute_arguments_handle,
integer(c_int), intent(in) neighbor_list_index,
integer(c_int), intent(in) particle_number,
integer(c_int), intent(out) number_of_neighbors,
integer(c_int), dimension(:), intent(out), pointer neighbors_of_particle,
integer(c_int), intent(out) ierr )

Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff distance.

A Fortran PM must provide a KIM::MODEL_ROUTINE_NAME::GetNeighbotList routine. The interface for this is given here (see also KIM::GetNeighborListFunction, KIM_GetNeighborListFunction).

interface
recursive subroutine get_neighbor_list(data_object, &
number_of_neighbor_lists, cutoffs, neighbor_list_index, &
particle_number, number_of_neighbors, neighbors_of_particle, ierr) &
bind(c)
use, intrinsic :: iso_c_binding
implicit none
type(c_ptr), intent(in), value :: data_object
integer(c_int), intent(in), value :: number_of_neighbor_lists
real(c_double), intent(in) :: cutoffs(*)
integer(c_int), intent(in), value :: neighbor_list_index
integer(c_int), intent(in), value :: particle_number
integer(c_int), intent(out) :: number_of_neighbors
type(c_ptr), intent(out) :: neighbors_of_particle
integer(c_int), intent(out) :: ierr
end subroutine get_neighbor_ilst
end interface
Note
The use of the "assumed size" type for cutoffs above is necessary for strict conformance to the Fortran/C interoperability standard. The cutoffs array is expected to be of shape [number_of_neighbor_lists].
See also
KIM::ModelComputeArguments::GetNeighborList, KIM_ModelComputeArguments_GetNeighborList
Since
2.0

Definition at line 249 of file kim_model_compute_arguments_module.f90.


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