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_simulator_model_module.f90 File Reference

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Modules

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

Functions/Subroutines

recursive subroutine, public kim_simulator_model_module::kim_simulator_model_create (simulator_model_name, simulator_model_handle, ierr)
 Create a new KIM API SimulatorModel object. More...
 
recursive subroutine, public kim_simulator_model_module::kim_simulator_model_destroy (simulator_model_handle)
 Destroy a previously SimulatorModel::Create'd object. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_number_of_supported_species (simulator_model_handle, number_of_supported_species)
 Get the number of species supported by the SimulatorModel. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_supported_species (simulator_model_handle, index, species_name, ierr)
 Get a species name supported by the SimulatorModel. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_open_and_initialize_template_map (simulator_model_handle)
 Open and initialize the template map for simulator field line substitutions. More...
 
integer(c_int) recursive function kim_simulator_model_module::kim_simulator_model_template_map_is_open (simulator_model_handle)
 Determine if the template map is open. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_add_template_map (simulator_model_handle, key, value, ierr)
 Add a new key-value entry to the template map. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_close_template_map (simulator_model_handle)
 Close the template map and perform template substitutions. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_number_of_simulator_fields (simulator_model_handle, number_of_simulator_fields)
 Get the number of simulator fields provided by the SimulatorModel. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_simulator_field_metadata (simulator_model_handle, field_index, extent, field_name, ierr)
 Get the metadata for the simulator field of interest. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_simulator_field_line (simulator_model_handle, field_index, line_index, line_value, ierr)
 Get a line for the simulator field of interest with all template substitutions performed (Requires the template map is closed). More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_parameter_file_directory_name (simulator_model_handle, directory_name)
 Get absolute path name of the temporary directory where parameter files provided by the simulator model are written. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_specification_file_name (simulator_model_handle, specification_file_name)
 Get the SimulatorModel's specification file basename (file name without path). The file is located in the SimulatorModel's parameter file directory. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_number_of_parameter_files (simulator_model_handle, number_of_parameter_files)
 Get the number of parameter files provided by the SimulatorModel. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_parameter_file_name (simulator_model_handle, index, parameter_file_name, ierr)
 Get the basename (file name without path) of a particular parameter file. The file is located in the SimulatorModel's parameter file directory. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_set_simulator_buffer_pointer (simulator_model_handle, ptr)
 Set the Simulator's buffer pointer within the SimulatorModel object. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_get_simulator_buffer_pointer (simulator_model_handle, ptr)
 Get the Simulator's buffer pointer from the SimulatorModel object. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_to_string (simulator_model_handle, string)
 Get a string representing the internal state of the SimulatorModel object. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_set_log_id (simulator_model_handle, log_id)
 Set the identity of the Log object associated with the SimulatorModel object. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_push_log_verbosity (simulator_model_handle, log_verbosity)
 Push a new LogVerbosity onto the SimulatorModel object's Log object verbosity stack. More...
 
recursive subroutine kim_simulator_model_module::kim_simulator_model_pop_log_verbosity (simulator_model_handle)
 Pop a LogVerbosity from the SimulatorModel object's Log object verbosity stack. More...
 

Variables

type(kim_simulator_model_handle_type), save, public, protected kim_simulator_model_module::kim_simulator_model_null_handle
 NULL handle for use in comparisons. More...