kim-api 2.3.0+AppleClang.AppleClang.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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kim_simulator_model_module Module Reference

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

Data Types

interface  kim_add_template_map
 Add a new key-value entry to the template map. More...
 
interface  kim_close_template_map
 Close the template map and perform template substitutions. More...
 
interface  kim_get_number_of_parameter_files
 Get the number of parameter files provided by the SimulatorModel. More...
 
interface  kim_get_number_of_simulator_fields
 Get the number of simulator fields provided by the SimulatorModel. More...
 
interface  kim_get_number_of_supported_species
 Get the number of species supported by the SimulatorModel. More...
 
interface  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_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_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_get_simulator_buffer_pointer
 Get the Simulator's buffer pointer from the SimulatorModel object. More...
 
interface  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_get_simulator_field_metadata
 Get the metadata for the simulator field of interest. More...
 
interface  kim_get_simulator_name_and_version
 Get the SimulatorModel's simulator name and version. More...
 
interface  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_get_supported_species
 Get a species name supported by the SimulatorModel. More...
 
interface  kim_open_and_initialize_template_map
 Open and initialize the template map for simulator field line substitutions. More...
 
interface  kim_pop_log_verbosity
 Pop a LogVerbosity from the SimulatorModel object's Log object verbosity stack. More...
 
interface  kim_push_log_verbosity
 Push a new LogVerbosity onto the SimulatorModel object's Log object verbosity stack. More...
 
interface  kim_set_log_id
 Set the identity of the Log object associated with the SimulatorModel object. More...
 
interface  kim_set_simulator_buffer_pointer
 Set the Simulator's buffer pointer within the SimulatorModel object. More...
 
type  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_template_map_is_open
 Determine if the template map is open. More...
 
interface  kim_to_string
 Get a string representing the internal state of the SimulatorModel object. More...
 
interface  operator(.eq.)
 Compares kim_simulator_model_handle_type's for equality. More...
 
interface  operator(.ne.)
 Compares kim_simulator_model_handle_type's for inequality. More...
 

Functions/Subroutines

recursive subroutine, public kim_simulator_model_create (simulator_model_name, simulator_model_handle, ierr)
 Create a new KIM API SimulatorModel object.
 
recursive subroutine, public 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_null_handle
 NULL handle for use in comparisons.
 

Detailed Description

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

See also
KIM::SimulatorModel, KIM_SimulatorModel
Since
2.1

Function/Subroutine Documentation

◆ kim_simulator_model_create()

recursive subroutine, public kim_simulator_model_module::kim_simulator_model_create ( character(len=*, kind=c_char), intent(in) simulator_model_name,
type(kim_simulator_model_handle_type), intent(out) simulator_model_handle,
integer(c_int), intent(out) ierr )

Create a new KIM API SimulatorModel object.

See also
KIM::SimulatorModel::Create, KIM_SimulatorModel_Create
Since
2.1

Definition at line 342 of file kim_simulator_model_module.f90.

◆ kim_simulator_model_destroy()

recursive subroutine, public kim_simulator_model_module::kim_simulator_model_destroy ( type(kim_simulator_model_handle_type), intent(inout) simulator_model_handle)

Destroy a previously SimulatorModel::Create'd object.

See also
KIM::SimulatorModel::Destroy, KIM_SimulatorModel_Destroy
Since
2.1

Definition at line 370 of file kim_simulator_model_module.f90.

Variable Documentation

◆ kim_simulator_model_null_handle

type(kim_simulator_model_handle_type), save, public, protected kim_simulator_model_module::kim_simulator_model_null_handle

NULL handle for use in comparisons.

Since
2.1

Definition at line 84 of file kim_simulator_model_module.f90.