kim-api 2.3.0+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_process_d2edr2_term Interface Reference

Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine. More...

Public Member Functions

recursive subroutine kim_model_compute_arguments_process_d2edr2_term (model_compute_arguments_handle, de, r, dx, i, j, ierr)
 Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine.
 

Detailed Description

Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine.

See also
KIM::ModelComputeArguments::ProcessD2EDr2Term, KIM_ModelComputeArguments_ProcessD2EDr2Term
Since
2.0

Definition at line 115 of file kim_model_compute_arguments_module.f90.

Member Function/Subroutine Documentation

◆ kim_model_compute_arguments_process_d2edr2_term()

recursive subroutine kim_model_compute_arguments_module::kim_process_d2edr2_term::kim_model_compute_arguments_process_d2edr2_term ( type(kim_model_compute_arguments_handle_type), intent(in) model_compute_arguments_handle,
real(c_double), intent(in) de,
real(c_double), dimension(:), intent(in) r,
real(c_double), dimension(:, :), intent(in) dx,
integer(c_int), dimension(:), intent(in) i,
integer(c_int), dimension(:), intent(in) j,
integer(c_int), intent(out) ierr )

Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine.

A Fortran PM may provide a KIM::MODEL_ROUTINE_NAME::ProcessD2EDr2Term routine. The interface for this is given here (see also KIM::ProcessD2EDr2TermFunction, KIM_ProcessD2EDr2TermFunction).

interface
recursive subroutine process_d2edr2_term(data_object, de, r, dx, i, j, &
ierr) bind(c)
use, intrinsic :: iso_c_binding
implicit none
type(c_ptr), intent(in), value :: data_object
real(c_double), intent(in), value :: de
real(c_double), intent(in) :: r(2)
real(c_double), intent(in) :: dx(3,2)
integer(c_int), intent(in) :: i(2)
integer(c_int), intent(in) :: j(2)
integer(c_int), intent(out) :: ierr
end subroutine process_d2edr2_term
end interface
See also
KIM::ModelComputeArguments::ProcessD2EDr2Term, KIM_ModelComputeArguments_ProcessD2EDr2Term
Since
2.0

Definition at line 381 of file kim_model_compute_arguments_module.f90.


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