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
kim_compute_arguments_module Module Reference

Provides the primary interface to a KIM API ComputeArguments object and is meant to be used by simulators. More...

Functions/Subroutines

recursive subroutine kim_compute_arguments_get_callback_support_status (compute_arguments_handle, compute_callback_name, support_status, ierr)
 Get the SupportStatus of a ComputeCallbackName. More...
 
recursive subroutine kim_compute_arguments_set_argument_pointer_int0 (compute_arguments_handle, compute_argument_name, int0, ierr)
 Set the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_compute_arguments_set_argument_pointer_int1 (compute_arguments_handle, compute_argument_name, int1, ierr)
 Set the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_compute_arguments_set_argument_pointer_int2 (compute_arguments_handle, compute_argument_name, int2, ierr)
 Set the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_compute_arguments_set_argument_pointer_double0 (compute_arguments_handle, compute_argument_name, double0, ierr)
 Set the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_compute_arguments_set_argument_pointer_double1 (compute_arguments_handle, compute_argument_name, double1, ierr)
 Set the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_compute_arguments_set_argument_pointer_double2 (compute_arguments_handle, compute_argument_name, double2, ierr)
 Set the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_compute_arguments_set_callback_pointer (compute_arguments_handle, compute_callback_name, language_name, fptr, data_object, ierr)
 Set the function pointer for a ComputeCallbackName. More...
 
recursive subroutine kim_compute_arguments_are_all_required_present (compute_arguments_handle, result_value, ierr)
 Determine if non-NULL pointers have been set for all ComputeArgumentName's and ComputeCallbackName's with SupportStatus values of SUPPORT_STATUS::requiredByAPI or SUPPORT_STATUS::required. More...
 
recursive subroutine kim_compute_arguments_set_simulator_buffer_pointer (compute_arguments_handle, ptr)
 Set the Simulator's buffer pointer within the ComputeArguments object. More...
 
recursive subroutine kim_compute_arguments_get_simulator_buffer_pointer (compute_arguments_handle, ptr)
 Get the Simulator's buffer pointer from the ComputeArguments object. More...
 
recursive subroutine kim_compute_arguments_to_string (compute_arguments_handle, string)
 Get a string representing the internal state of the ComputeArguments object. More...
 
recursive subroutine kim_compute_arguments_set_log_id (compute_arguments_handle, log_id)
 Set the identity of the Log object associated with the ComputeArguments object. More...
 
recursive subroutine kim_compute_arguments_push_log_verbosity (compute_arguments_handle, log_verbosity)
 Push a new LogVerbosity onto the ComputeArguments object's Log object verbosity stack. More...
 
recursive subroutine kim_compute_arguments_pop_log_verbosity (compute_arguments_handle)
 Pop a LogVerbosity from the ComputeArguments object's Log object verbosity stack. More...
 

Variables

type(kim_compute_arguments_handle_type), save, public, protected kim_compute_arguments_null_handle
 NULL handle for use in comparisons. More...
 

Detailed Description

Provides the primary interface to a KIM API ComputeArguments object and is meant to be used by simulators.

See also
KIM::ComputeArguments, KIM_ComputeArguments
Since
2.0

Function/Subroutine Documentation

◆ kim_compute_arguments_are_all_required_present()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_are_all_required_present ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
integer(c_int), intent(out)  result_value,
integer(c_int), intent(out)  ierr 
)

Determine if non-NULL pointers have been set for all ComputeArgumentName's and ComputeCallbackName's with SupportStatus values of SUPPORT_STATUS::requiredByAPI or SUPPORT_STATUS::required.

See also
KIM::ComputeArguments::AreAllRequiredArgumentsAndCallbacksPresent, KIM_ComputeArguments_AreAllRequiredArgumentsAndCallbacksPresent
Since
2.0

Definition at line 687 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_get_callback_support_status()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_get_callback_support_status ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_callback_name_type), intent(in)  compute_callback_name,
type(kim_support_status_type), intent(out)  support_status,
integer(c_int), intent(out)  ierr 
)

Get the SupportStatus of a ComputeCallbackName.

See also
KIM::ComputeArguments::GetCallbackSupportStatus, KIM_ComputeArguments_GetCallbackSupportStatus
Since
2.0

Definition at line 288 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_get_simulator_buffer_pointer()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_get_simulator_buffer_pointer ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(c_ptr), intent(out)  ptr 
)

◆ kim_compute_arguments_pop_log_verbosity()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_pop_log_verbosity ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle)

Pop a LogVerbosity from the ComputeArguments object's Log object verbosity stack.

See also
KIM::ComputeArguments::PopLogVerbosity, KIM_ComputeArguments_PopLogVerbosity
Since
2.0

Definition at line 868 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_push_log_verbosity()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_push_log_verbosity ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_log_verbosity_type), intent(in)  log_verbosity 
)

Push a new LogVerbosity onto the ComputeArguments object's Log object verbosity stack.

See also
KIM::ComputeArguments::PushLogVerbosity, KIM_ComputeArguments_PushLogVerbosity
Since
2.0

Definition at line 837 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_argument_pointer_double0()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_argument_pointer_double0 ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_argument_name_type), intent(in)  compute_argument_name,
real(c_double), intent(in), target  double0,
integer(c_int), intent(out)  ierr 
)

Set the data pointer for a ComputeArgumentName.

See also
KIM::ComputeArguments::SetArgumentPointer, KIM_ComputeArguments_SetArgumentPointerDouble
Since
2.0

Definition at line 485 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_argument_pointer_double1()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_argument_pointer_double1 ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_argument_name_type), intent(in)  compute_argument_name,
real(c_double), dimension(:), intent(in), target  double1,
integer(c_int), intent(out)  ierr 
)

Set the data pointer for a ComputeArgumentName.

See also
KIM::ComputeArguments::SetArgumentPointer, KIM_ComputeArguments_SetArgumentPointerDouble
Since
2.0

Definition at line 524 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_argument_pointer_double2()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_argument_pointer_double2 ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_argument_name_type), intent(in)  compute_argument_name,
real(c_double), dimension(:,:), intent(in), target  double2,
integer(c_int), intent(out)  ierr 
)

Set the data pointer for a ComputeArgumentName.

See also
KIM::ComputeArguments::SetArgumentPointer, KIM_ComputeArguments_SetArgumentPointerDouble
Since
2.0

Definition at line 582 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_argument_pointer_int0()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_argument_pointer_int0 ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_argument_name_type), intent(in)  compute_argument_name,
integer(c_int), intent(in), target  int0,
integer(c_int), intent(out)  ierr 
)

Set the data pointer for a ComputeArgumentName.

See also
KIM::ComputeArguments::SetArgumentPointer, KIM_ComputeArguments_SetArgumentPointerInteger
Since
2.0

Definition at line 329 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_argument_pointer_int1()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_argument_pointer_int1 ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_argument_name_type), intent(in)  compute_argument_name,
integer(c_int), dimension(:), intent(in), target  int1,
integer(c_int), intent(out)  ierr 
)

Set the data pointer for a ComputeArgumentName.

See also
KIM::ComputeArguments::SetArgumentPointer, KIM_ComputeArguments_SetArgumentPointerInteger
Since
2.0

Definition at line 368 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_argument_pointer_int2()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_argument_pointer_int2 ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_argument_name_type), intent(in)  compute_argument_name,
integer(c_int), dimension(:,:), intent(in), target  int2,
integer(c_int), intent(out)  ierr 
)

Set the data pointer for a ComputeArgumentName.

See also
KIM::ComputeArguments::SetArgumentPointer, KIM_ComputeArguments_SetArgumentPointerInteger
Since
2.0

Definition at line 426 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_callback_pointer()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_callback_pointer ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(kim_compute_callback_name_type), intent(in)  compute_callback_name,
type(kim_language_name_type), intent(in)  language_name,
type(c_funptr), intent(in), value  fptr,
type(c_ptr), intent(in)  data_object,
integer(c_int), intent(out)  ierr 
)

Set the function pointer for a ComputeCallbackName.

See also
KIM::ComputeArguments::SetCallbackPointer, KIM_ComputeArguments_SetCallbackPointer
Since
2.0

Definition at line 641 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_log_id()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_log_id ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
character(len=*, kind=c_char), intent(in)  log_id 
)

Set the identity of the Log object associated with the ComputeArguments object.

See also
KIM::ComputeArguments::SetLogID, KIM_ComputeArguments_SetLogID
Since
2.0

Definition at line 808 of file kim_compute_arguments_module.f90.

◆ kim_compute_arguments_set_simulator_buffer_pointer()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_set_simulator_buffer_pointer ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
type(c_ptr), intent(in)  ptr 
)

◆ kim_compute_arguments_to_string()

recursive subroutine kim_compute_arguments_module::kim_compute_arguments_to_string ( type(kim_compute_arguments_handle_type), intent(in)  compute_arguments_handle,
character(len=*, kind=c_char), intent(out)  string 
)

Get a string representing the internal state of the ComputeArguments object.

See also
KIM::ComputeArguments::ToString, KIM_ComputeArguments_ToString
Since
2.0

Definition at line 777 of file kim_compute_arguments_module.f90.

Variable Documentation

◆ kim_compute_arguments_null_handle

type(kim_compute_arguments_handle_type), save, public, protected kim_compute_arguments_module::kim_compute_arguments_null_handle

NULL handle for use in comparisons.

Since
2.0

Definition at line 79 of file kim_compute_arguments_module.f90.