kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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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. | |
Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff distance.
Definition at line 95 of file kim_model_compute_arguments_module.f90.
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).
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].Definition at line 249 of file kim_model_compute_arguments_module.f90.