kim-api  2.1.4-git+v2.1.3-git-1-g7847914a.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Data Types | Functions/Subroutines | Variables
ex_model_ar_slj_multicutoff Module Reference

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_cutoff1 = 1.25*lj_sigma
 
real(c_double), parameter, public model_cutoff2 = 2.25*lj_sigma
 

Function/Subroutine Documentation

◆ compute_energy_forces()

recursive subroutine, public ex_model_ar_slj_multicutoff::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 235 of file ex_model_Ar_SLJ_MultiCutoff.f90.

◆ model_compute_arguments_create()

recursive subroutine, public ex_model_ar_slj_multicutoff::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 511 of file ex_model_Ar_SLJ_MultiCutoff.f90.

◆ model_compute_arguments_destroy()

recursive subroutine, public ex_model_ar_slj_multicutoff::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 571 of file ex_model_Ar_SLJ_MultiCutoff.f90.

◆ model_destroy_func()

recursive subroutine, public ex_model_ar_slj_multicutoff::model_destroy_func ( type(kim_model_destroy_handle_type), intent(inout)  model_destroy_handle,
integer(c_int), intent(out)  ierr 
)

Definition at line 487 of file ex_model_Ar_SLJ_MultiCutoff.f90.

Variable Documentation

◆ model_cutoff1

real(c_double), parameter, public ex_model_ar_slj_multicutoff::model_cutoff1 = 1.25*lj_sigma

Definition at line 91 of file ex_model_Ar_SLJ_MultiCutoff.f90.

◆ model_cutoff2

real(c_double), parameter, public ex_model_ar_slj_multicutoff::model_cutoff2 = 2.25*lj_sigma

Definition at line 93 of file ex_model_Ar_SLJ_MultiCutoff.f90.

◆ speccode

integer(c_int), parameter, public ex_model_ar_slj_multicutoff::speccode = 1

Definition at line 71 of file ex_model_Ar_SLJ_MultiCutoff.f90.