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kim-api 2.4.2+30a0ceab.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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kim-api 2.4.2+30a0ceab.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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Go to the source code of this file.
Data Types | |
| type | kim_simulator_model_module::kim_simulator_model_handle_type |
| Provides the primary interface to a KIM API SimulatorModel object and is meant to be used by simulators. More... | |
| interface | kim_simulator_model_module::operator(.eq.) |
| Compares kim_simulator_model_handle_type's for equality. More... | |
| interface | kim_simulator_model_module::operator(.ne.) |
| Compares kim_simulator_model_handle_type's for inequality. More... | |
| interface | kim_simulator_model_module::kim_get_simulator_name_and_version |
| Get the SimulatorModel's simulator name and version. More... | |
| interface | kim_simulator_model_module::kim_get_number_of_supported_species |
| Get the number of species supported by the SimulatorModel. More... | |
| interface | kim_simulator_model_module::kim_get_supported_species |
| Get a species name supported by the SimulatorModel. More... | |
| interface | kim_simulator_model_module::kim_open_and_initialize_template_map |
| Open and initialize the template map for simulator field line substitutions. More... | |
| interface | kim_simulator_model_module::kim_template_map_is_open |
| Determine if the template map is open. More... | |
| interface | kim_simulator_model_module::kim_add_template_map |
| Add a new key-value entry to the template map. More... | |
| interface | kim_simulator_model_module::kim_close_template_map |
| Close the template map and perform template substitutions. More... | |
| interface | kim_simulator_model_module::kim_get_number_of_simulator_fields |
| Get the number of simulator fields provided by the SimulatorModel. More... | |
| interface | kim_simulator_model_module::kim_get_simulator_field_metadata |
| Get the metadata for the simulator field of interest. More... | |
| interface | kim_simulator_model_module::kim_get_simulator_field_line |
| Get a line for the simulator field of interest with all template substitutions performed (Requires the template map is closed). More... | |
| interface | kim_simulator_model_module::kim_get_parameter_file_directory_name |
| Get absolute path name of the temporary directory where parameter files provided by the simulator model are written. More... | |
| interface | kim_simulator_model_module::kim_get_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... | |
| interface | kim_simulator_model_module::kim_get_number_of_parameter_files |
| Get the number of parameter files provided by the SimulatorModel. More... | |
| interface | kim_simulator_model_module::kim_get_parameter_file_name |
| Get the basename (file name without path) of a particular parameter file. The file is located in the SimulatorModel's parameter file directory. More... | |
| interface | kim_simulator_model_module::kim_get_parameter_file_basename |
| Get the basename (file name without path) of a particular parameter file. The file is located in the SimulatorModel's parameter file directory. More... | |
| interface | kim_simulator_model_module::kim_set_simulator_buffer_pointer |
| Set the Simulator's buffer pointer within the SimulatorModel object. More... | |
| interface | kim_simulator_model_module::kim_get_simulator_buffer_pointer |
| Get the Simulator's buffer pointer from the SimulatorModel object. More... | |
| interface | kim_simulator_model_module::kim_to_string |
| Get a string representing the internal state of the SimulatorModel object. More... | |
| interface | kim_simulator_model_module::kim_set_log_id |
| Set the identity of the Log object associated with the SimulatorModel object. More... | |
| interface | kim_simulator_model_module::kim_push_log_verbosity |
| Push a new LogVerbosity onto the SimulatorModel object's Log object verbosity stack. More... | |
| interface | kim_simulator_model_module::kim_pop_log_verbosity |
| Pop a LogVerbosity from the SimulatorModel object's Log object verbosity stack. More... | |
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. | |
| recursive subroutine, public | kim_simulator_model_module::kim_simulator_model_destroy (simulator_model_handle) |
| Destroy a previously SimulatorModel::Create'd object. | |
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. | |
1.13.2