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 | Modules | Functions/Subroutines | Variables
kim_model_module.f90 File Reference

Go to the source code of this file.

Modules

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

Functions/Subroutines

recursive subroutine, public kim_model_module::kim_model_create (numbering, requested_length_unit, requested_energy_unit, requested_charge_unit, requested_temperature_unit, requested_time_unit, model_name, requested_units_accepted, model_handle, ierr)
 Create a new KIM API Model object. More...
 
recursive subroutine, public kim_model_module::kim_model_destroy (model_handle)
 Destroy a previously Model::Create'd object. More...
 
recursive subroutine kim_model_module::kim_model_get_influence_distance (model_handle, influence_distance)
 Get the Model's influence distance. More...
 
recursive subroutine kim_model_module::kim_model_get_number_of_neighbor_lists (model_handle, number_of_neighbor_lists)
 Get Model's number of neighbor lists. More...
 
recursive subroutine kim_model_module::kim_model_get_neighbor_list_values (model_handle, cutoffs, model_will_not_request_neighbors_of_noncontributing_particles, ierr)
 Get Model's neighbor list values. More...
 
recursive subroutine kim_model_module::kim_model_get_units (model_handle, length_unit, energy_unit, charge_unit, temperature_unit, time_unit)
 Get the Model's base unit values. More...
 
recursive subroutine kim_model_module::kim_model_compute_arguments_create (model_handle, compute_arguments_handle, ierr)
 Create a new ComputeArguments object for the Model object. More...
 
recursive subroutine kim_model_module::kim_model_compute_arguments_destroy (model_handle, compute_arguments_handle, ierr)
 Destroy a previously Model::ComputeArgumentsCreate'd object. More...
 
recursive subroutine kim_model_module::kim_model_compute (model_handle, compute_arguments_handle, ierr)
 Call the Model's MODEL_ROUTINE_NAME::Compute routine. More...
 
recursive subroutine kim_model_module::kim_model_extension (model_handle, extension_id, extension_structure, ierr)
 Call the Model's MODEL_ROUTINE_NAME::Extension routine. More...
 
recursive subroutine kim_model_module::kim_model_clear_then_refresh (model_handle, ierr)
 Clear influence distance and neighbor list pointers and refresh Model object after parameter changes. More...
 
recursive subroutine kim_model_module::kim_model_write_parameterized_model (model_handle, path, model_name, ierr)
 Call the Model's MODEL_ROUTINE_NAME::WriteParameterizedModel routine. More...
 
recursive subroutine kim_model_module::kim_model_get_species_support_and_code (model_handle, species_name, species_is_supported, code, ierr)
 Get the Model's support and code for the requested SpeciesName. More...
 
recursive subroutine kim_model_module::kim_model_get_number_of_parameters (model_handle, number_of_parameters)
 Get the number of parameter arrays provided by the Model. More...
 
recursive subroutine kim_model_module::kim_model_get_parameter_metadata (model_handle, parameter_index, data_type, extent, name, description, ierr)
 Get the metadata associated with one of the Model's parameter arrays. More...
 
recursive subroutine kim_model_module::kim_model_get_parameter_integer (model_handle, parameter_index, array_index, parameter_value, ierr)
 Get a parameter value from the Model. More...
 
recursive subroutine kim_model_module::kim_model_get_parameter_double (model_handle, parameter_index, array_index, parameter_value, ierr)
 Get a parameter value from the Model. More...
 
recursive subroutine kim_model_module::kim_model_set_parameter_integer (model_handle, parameter_index, array_index, parameter_value, ierr)
 Set a parameter value for the Model. More...
 
recursive subroutine kim_model_module::kim_model_set_parameter_double (model_handle, parameter_index, array_index, parameter_value, ierr)
 Set a parameter value for the Model. More...
 
recursive subroutine kim_model_module::kim_model_set_simulator_buffer_pointer (model_handle, ptr)
 Set the Simulator's buffer pointer within the Model object. More...
 
recursive subroutine kim_model_module::kim_model_get_simulator_buffer_pointer (model_handle, ptr)
 Get the Simulator's buffer pointer from the Model object. More...
 
recursive subroutine kim_model_module::kim_model_to_string (model_handle, string)
 Get a string representing the internal state of the Model object. More...
 
recursive subroutine kim_model_module::kim_model_set_log_id (model_handle, log_id)
 Set the identity of the Log object associated with the Model object. More...
 
recursive subroutine kim_model_module::kim_model_push_log_verbosity (model_handle, log_verbosity)
 Push a new LogVerbosity onto the Model object's Log object verbosity stack. More...
 
recursive subroutine kim_model_module::kim_model_pop_log_verbosity (model_handle)
 Pop a LogVerbosity from the Model object's Log object verbosity stack. More...
 

Variables

type(kim_model_handle_type), save, public, protected kim_model_module::kim_model_null_handle
 NULL handle for use in comparisons. More...