kim-api
2.2.1+v2.2.1.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
|
Functions/Subroutines | |
recursive subroutine, public | compute_energy_forces (model_compute_handle, model_compute_arguments_handle, ierr) |
recursive subroutine, public | model_destroy_func (model_destroy_handle, ierr) |
recursive subroutine, public | model_compute_arguments_create (model_compute_handle, model_compute_arguments_create_handle, ierr) |
recursive subroutine, public | model_compute_arguments_destroy (model_compute_handle, model_compute_arguments_destroy_handle, ierr) |
Variables | |
integer(c_int), parameter, public | speccode = 1 |
real(c_double), parameter, public | model_cutoff = 8.15_cd |
recursive subroutine, public ex_model_ar_p_mlj_f03::compute_energy_forces | ( | type(kim_model_compute_handle_type), intent(in) | model_compute_handle, |
type(kim_model_compute_arguments_handle_type), intent(in) | model_compute_arguments_handle, | ||
integer(c_int), intent(out) | ierr | ||
) |
Definition at line 173 of file ex_model_Ar_P_MLJ_Fortran.f90.
recursive subroutine, public ex_model_ar_p_mlj_f03::model_compute_arguments_create | ( | type(kim_model_compute_handle_type), intent(in) | model_compute_handle, |
type(kim_model_compute_arguments_create_handle_type), intent(inout) | model_compute_arguments_create_handle, | ||
integer(c_int), intent(out) | ierr | ||
) |
Definition at line 404 of file ex_model_Ar_P_MLJ_Fortran.f90.
recursive subroutine, public ex_model_ar_p_mlj_f03::model_compute_arguments_destroy | ( | type(kim_model_compute_handle_type), intent(in) | model_compute_handle, |
type(kim_model_compute_arguments_destroy_handle_type), intent(inout) | model_compute_arguments_destroy_handle, | ||
integer(c_int), intent(out) | ierr | ||
) |
Definition at line 464 of file ex_model_Ar_P_MLJ_Fortran.f90.
recursive subroutine, public ex_model_ar_p_mlj_f03::model_destroy_func | ( | type(kim_model_destroy_handle_type), intent(inout) | model_destroy_handle, |
integer(c_int), intent(out) | ierr | ||
) |
Definition at line 380 of file ex_model_Ar_P_MLJ_Fortran.f90.
real(c_double), parameter, public ex_model_ar_p_mlj_f03::model_cutoff = 8.15_cd |
Definition at line 64 of file ex_model_Ar_P_MLJ_Fortran.f90.
integer(c_int), parameter, public ex_model_ar_p_mlj_f03::speccode = 1 |
Definition at line 63 of file ex_model_Ar_P_MLJ_Fortran.f90.