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).
Namespaces | Classes | Typedefs
KIM Namespace Reference

Namespaces

 CHARGE_UNIT
 Contains the enumeration constants and the discovery routines for the ChargeUnit Extensible Enumeration.
 
 COLLECTION
 Contains the enumeration constants and the discovery routines for the Collection Extensible Enumeration.
 
 COLLECTION_ITEM_TYPE
 Contains the enumeration constants and the discovery routines for the CollectionItemType Extensible Enumeration.
 
 COMPUTE_ARGUMENT_NAME
 Contains the enumeration constants and the discovery routines for the ComputeArgumentName Extensible Enumeration.
 
 COMPUTE_CALLBACK_NAME
 Contains the enumeration constants and the discovery routines for the ComputeCallbackName Extensible Enumeration.
 
 DATA_TYPE
 Contains the enumeration constants and the discovery routines for the DataType Extensible Enumeration.
 
 ENERGY_UNIT
 Contains the enumeration constants and the discovery routines for the EnergyUnit Extensible Enumeration.
 
 LANGUAGE_NAME
 Contains the enumeration constants and the discovery routines for the LanguageName Extensible Enumeration.
 
 LENGTH_UNIT
 Contains the enumeration constants and the discovery routines for the LengthUnit Extensible Enumeration.
 
 LOG_VERBOSITY
 Contains the enumeration constants and the discovery routines for the LogVerbosity Extensible Enumeration.
 
 MODEL_ROUTINE_NAME
 Contains the enumeration constants and the discovery routines for the ModelRoutineName Extensible Enumeration.
 
 NUMBERING
 Contains the enumeration constants and the discovery routines for the Numbering Extensible Enumeration.
 
 SEM_VER
 Contains routines related to the KIM API Semantic Version.
 
 SPECIES_NAME
 Contains the enumeration constants and the discovery routines for the SpeciesName Extensible Enumeration.
 
 SUPPORT_STATUS
 Contains the enumeration constants and the discovery routines for the SupportStatus Extensible Enumeration.
 
 TEMPERATURE_UNIT
 Contains the enumeration constants and the discovery routines for the TemperatureUnit Extensible Enumeration.
 
 TIME_UNIT
 Contains the enumeration constants and the discovery routines for the TimeUnit Extensible Enumeration.
 

Classes

class  ChargeUnit
 An Extensible Enumeration for the ChargeUnit's supported by the KIM API. More...
 
class  Collection
 An Extensible Enumeration for the Collection's supported by the KIM API. More...
 
class  CollectionItemType
 An Extensible Enumeration for the CollectionItemType's supported by the KIM API. More...
 
class  Collections
 Provides the interface to the KIM API Collections and is meant to be used by simulators. More...
 
class  ComputeArgumentName
 An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API. More...
 
class  ComputeArguments
 Provides the primary interface to a KIM API ComputeArguments object and is meant to be used by simulators. More...
 
class  ComputeCallbackName
 An Extensible Enumeration for the ComputeCallbackName's supported by the KIM API. More...
 
class  DataType
 An Extensible Enumeration for the DataType's supported by the KIM API. More...
 
class  EnergyUnit
 An Extensible Enumeration for the EnergyUnit's supported by the KIM API. More...
 
class  LanguageName
 An Extensible Enumeration for the LanguageName's supported by the KIM API. More...
 
class  LengthUnit
 An Extensible Enumeration for the LengthUnit's supported by the KIM API. More...
 
class  Log
 Provides the logging interface for the KIM API. More...
 
class  LogVerbosity
 An Extensible Enumeration for the LogVerbosity's supported by the KIM API. More...
 
class  Model
 Provides the primary interface to a KIM API Model object and is meant to be used by simulators. More...
 
class  ModelCompute
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Compute routine. More...
 
class  ModelComputeArguments
 Provides the interface to a KIM API ComputeArguments object for use by models within their MODEL_ROUTINE_NAME::Compute routine. More...
 
class  ModelComputeArgumentsCreate
 Provides the interface to a KIM API ComputeArguments object for use by models within their MODEL_ROUTINE_NAME::ComputeArgumentsCreate routine. More...
 
class  ModelComputeArgumentsDestroy
 Provides the interface to a KIM API ComputeArguments object for use by models within their MODEL_ROUTINE_NAME::ComputeArgumentsDestroy routine. More...
 
class  ModelCreate
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Create routine. More...
 
class  ModelDestroy
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Destroy routine. More...
 
class  ModelDriverCreate
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Create routine. More...
 
class  ModelExtension
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Extension routine. More...
 
class  ModelRefresh
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::Refresh routine. More...
 
class  ModelRoutineName
 An Extensible Enumeration for the ModelRoutineName's supported by the KIM API. More...
 
class  ModelWriteParameterizedModel
 Provides the interface to a KIM API Model object for use by models within their MODEL_ROUTINE_NAME::WriteParameterizedModel routine. More...
 
class  Numbering
 An Extensible Enumeration for the Numbering's supported by the KIM API. More...
 
class  SimulatorModel
 Provides the primary interface to a KIM API SimulatorModel object and is meant to be used by simulators. More...
 
class  SpeciesName
 An Extensible Enumeration for the SpeciesName's supported by the KIM API. More...
 
struct  SupportedExtensions
 The only standard extension defined by the KIM API. More...
 
class  SupportStatus
 An Extensible Enumeration for the SupportStatus's supported by the KIM API. More...
 
class  TemperatureUnit
 An Extensible Enumeration for the TemperatureUnit's supported by the KIM API. More...
 
class  TimeUnit
 An Extensible Enumeration for the TimeUnit's supported by the KIM API. More...
 

Typedefs

typedef void() Function(void)
 Generic function type. More...
 
typedef int ModelCreateFunction(ModelCreate *const modelCreate, LengthUnit const requestedLengthUnit, EnergyUnit const requestedEnergyUnit, ChargeUnit const requestedChargeUnit, TemperatureUnit const requestedTemperatureUnit, TimeUnit const requestedTimeUnit)
 Prototype for MODEL_ROUTINE_NAME::Create routine. More...
 
typedef int ModelDriverCreateFunction(ModelDriverCreate *const modelDriverCreate, LengthUnit const requestedLengthUnit, EnergyUnit const requestedEnergyUnit, ChargeUnit const requestedChargeUnit, TemperatureUnit const requestedTemperatureUnit, TimeUnit const requestedTimeUnit)
 Prototype for MODEL_ROUTINE_NAME::Create routine. More...
 
typedef int ModelComputeArgumentsCreateFunction(ModelCompute const *const modelCompute, ModelComputeArgumentsCreate *const modelComputeArgumentsCreate)
 Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsCreate routine. More...
 
typedef int ModelComputeFunction(ModelCompute const *const modelCompute, ModelComputeArguments const *const modelComputeArgumentsCreate)
 Prototype for MODEL_ROUTINE_NAME::Compute routine. More...
 
typedef int GetNeighborListFunction(void *const dataObject, int const numberOfNeighborLists, double const *const cutoffs, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)
 Prototype for COMPUTE_CALLBACK_NAME::GetNeighborList routine. More...
 
typedef int ProcessDEDrTermFunction(void *const dataObject, double const de, double const r, double const *const dx, int const i, int const j)
 Prototype for COMPUTE_CALLBACK_NAME::ProcessDEDrTerm routine. More...
 
typedef int ProcessD2EDr2TermFunction(void *const dataObject, double const de, double const *const r, double const *const dx, int const *const i, int const *const j)
 Prototype for COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine. More...
 
typedef int ModelExtensionFunction(ModelExtension *const modelExtension, void *const extensionStructure)
 Prototype for MODEL_ROUTINE_NAME::Extension routine. More...
 
typedef int ModelRefreshFunction(ModelRefresh *const modelRefresh)
 Prototype for MODEL_ROUTINE_NAME::Refresh routine. More...
 
typedef int ModelWriteParameterizedModelFunction(ModelWriteParameterizedModel const *const modelWriteParameterizedModel)
 Prototype for MODEL_ROUTINE_NAME::WriteParameterizedModel routine. More...
 
typedef int ModelComputeArgumentsDestroyFunction(ModelCompute const *const modelCompute, ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy)
 Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsDestroy routine. More...
 
typedef int ModelDestroyFunction(ModelDestroy *const modelDestroy)
 Prototype for MODEL_ROUTINE_NAME::Destroy routine. More...
 

Typedef Documentation

◆ Function

typedef void() KIM::Function(void)

Generic function type.

See also
KIM_Function
Since
2.0

Definition at line 61 of file KIM_FunctionTypes.hpp.

◆ GetNeighborListFunction

typedef int KIM::GetNeighborListFunction(void *const dataObject, int const numberOfNeighborLists, double const *const cutoffs, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)

Prototype for COMPUTE_CALLBACK_NAME::GetNeighborList routine.

See also
KIM_GetNeighborListFunction, kim_model_compute_arguments_module::kim_model_compute_arguments_get_neighbor_list
Since
2.0

Definition at line 114 of file KIM_FunctionTypes.hpp.

◆ ModelComputeArgumentsCreateFunction

typedef int KIM::ModelComputeArgumentsCreateFunction(ModelCompute const *const modelCompute, ModelComputeArgumentsCreate *const modelComputeArgumentsCreate)

◆ ModelComputeArgumentsDestroyFunction

typedef int KIM::ModelComputeArgumentsDestroyFunction(ModelCompute const *const modelCompute, ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy)

◆ ModelComputeFunction

typedef int KIM::ModelComputeFunction(ModelCompute const *const modelCompute, ModelComputeArguments const *const modelComputeArgumentsCreate)

Prototype for MODEL_ROUTINE_NAME::Compute routine.

See also
KIM_ModelComputeFunction, kim_model_module::kim_model_compute
Since
2.0

Definition at line 104 of file KIM_FunctionTypes.hpp.

◆ ModelCreateFunction

typedef int KIM::ModelCreateFunction(ModelCreate *const modelCreate, LengthUnit const requestedLengthUnit, EnergyUnit const requestedEnergyUnit, ChargeUnit const requestedChargeUnit, TemperatureUnit const requestedTemperatureUnit, TimeUnit const requestedTimeUnit)

Prototype for MODEL_ROUTINE_NAME::Create routine.

See also
KIM_ModelCreateFunction, kim_model_module::kim_model_create
Since
2.0

Definition at line 68 of file KIM_FunctionTypes.hpp.

◆ ModelDestroyFunction

typedef int KIM::ModelDestroyFunction(ModelDestroy *const modelDestroy)

Prototype for MODEL_ROUTINE_NAME::Destroy routine.

See also
KIM_ModelDestroyFunction, kim_model_module::kim_model_destroy
Since
2.0

Definition at line 192 of file KIM_FunctionTypes.hpp.

◆ ModelDriverCreateFunction

typedef int KIM::ModelDriverCreateFunction(ModelDriverCreate *const modelDriverCreate, LengthUnit const requestedLengthUnit, EnergyUnit const requestedEnergyUnit, ChargeUnit const requestedChargeUnit, TemperatureUnit const requestedTemperatureUnit, TimeUnit const requestedTimeUnit)

Prototype for MODEL_ROUTINE_NAME::Create routine.

See also
KIM_ModelDriverCreateFunction, kim_model_module::kim_model_create
Since
2.0

Definition at line 81 of file KIM_FunctionTypes.hpp.

◆ ModelExtensionFunction

typedef int KIM::ModelExtensionFunction(ModelExtension *const modelExtension, void *const extensionStructure)

◆ ModelRefreshFunction

typedef int KIM::ModelRefreshFunction(ModelRefresh *const modelRefresh)

◆ ModelWriteParameterizedModelFunction

typedef int KIM::ModelWriteParameterizedModelFunction(ModelWriteParameterizedModel const *const modelWriteParameterizedModel)

◆ ProcessD2EDr2TermFunction

typedef int KIM::ProcessD2EDr2TermFunction(void *const dataObject, double const de, double const *const r, double const *const dx, int const *const i, int const *const j)

◆ ProcessDEDrTermFunction

typedef int KIM::ProcessDEDrTermFunction(void *const dataObject, double const de, double const r, double const *const dx, int const i, int const j)