kim-api  2.1.4-git+v2.1.3-git-3-g4c859c7f.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Data Types | Modules | Functions/Subroutines | Variables
kim_model_compute_arguments_module.f90 File Reference

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Modules

module  kim_model_compute_arguments_module
 Provides the interface to a KIM API ComputeArguments object for use by models within their MODEL_ROUTINE_NAME::Compute routine.
 

Functions/Subroutines

recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_process_dedr_term (model_compute_arguments_handle, de, r, dx, i, j, ierr)
 Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessDEDrTerm routine. More...
 
recursive subroutine kim_model_compute_arguments_module::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. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_argument_pointer_int0 (model_compute_arguments_handle, compute_argument_name, int0, ierr)
 Get the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_argument_pointer_int1 (model_compute_arguments_handle, compute_argument_name, extent1, int1, ierr)
 Get the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_argument_pointer_int2 (model_compute_arguments_handle, compute_argument_name, extent1, extent2, int2, ierr)
 Get the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_argument_pointer_double0 (model_compute_arguments_handle, compute_argument_name, double0, ierr)
 Get the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_argument_pointer_double1 (model_compute_arguments_handle, compute_argument_name, extent1, double1, ierr)
 Get the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_argument_pointer_double2 (model_compute_arguments_handle, compute_argument_name, extent1, extent2, double2, ierr)
 Get the data pointer for a ComputeArgumentName. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_is_callback_present (model_compute_arguments_handle, compute_callback_name, present, ierr)
 Determine if the Simulator has provided a non-NULL function pointer for a ComputeCallbackName of interest. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_set_model_buffer_pointer (model_compute_arguments_handle, ptr)
 Set the Model's buffer pointer within the ComputeArguments object. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_get_model_buffer_pointer (model_compute_arguments_handle, ptr)
 Get the Model's buffer pointer within the ComputeArguments object. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_log_entry (model_compute_arguments_handle, log_verbosity, message)
 Write a log entry into the log file. More...
 
recursive subroutine kim_model_compute_arguments_module::kim_model_compute_arguments_to_string (model_compute_arguments_handle, string)
 Get a string representing the internal state of the ComputeArguments object. More...
 

Variables

type(kim_model_compute_arguments_handle_type), save, public, protected kim_model_compute_arguments_module::kim_model_compute_arguments_null_handle
 NULL handle for use in comparisons. More...