KIM API V2
|
Functions/Subroutines | |
integer(c_int) function, public | compute_energy_forces (pkim) |
subroutine, public | model_compute_arguments_create (model_compute_handle, model_compute_arguments_create_handle, ierr) |
subroutine, public | model_compute_arguments_destroy (model_compute_handle, model_compute_arguments_destroy_handle, ierr) |
subroutine, public | model_destroy_func (model_destroy_handle, ierr) |
subroutine, public | model_refresh_func (model_refresh_handle, ierr) |
subroutine, public | compute_energy_forces (model_compute_handle, model_compute_arguments_handle, ierr) |
Variables | |
real(c_double), parameter, public | model_cutoff = 8.15_cd |
integer(c_int) function, public ex_model_ar_p_mlj_f03::compute_energy_forces | ( | type(c_ptr), intent(in) | pkim | ) |
Definition at line 162 of file ex_model_Ar_P_MLJ_F03.F03.
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_F03.F03.
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 346 of file ex_model_Ar_P_MLJ_F03.F03.
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 409 of file ex_model_Ar_P_MLJ_F03.F03.
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 347 of file ex_model_Ar_P_MLJ_F03.F03.
subroutine public ex_model_ar_p_mlj_f03::model_refresh_func | ( | type(kim_model_refresh_handle_type), intent(inout) | model_refresh_handle, |
integer(c_int), intent(out) | ierr | ||
) |
Definition at line 373 of file ex_model_Ar_P_MLJ_F03.F03.
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_F03.F03.