kim-api
2.3.1-git+v2.3.0-git-2-g378406f9.GNU.GNU.
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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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 int | LogPrintFunction(std::string const &entryString) |
Prototype for Log PrintFunction routine. More... | |
typedef void() KIM::Function(void) |
Generic function type.
Definition at line 60 of file KIM_FunctionTypes.hpp.
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.
Definition at line 113 of file KIM_FunctionTypes.hpp.
typedef int KIM::LogPrintFunction(std::string const &entryString) |
Prototype for Log PrintFunction routine.
Definition at line 199 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelComputeArgumentsCreateFunction(ModelCompute const *const modelCompute, ModelComputeArgumentsCreate *const modelComputeArgumentsCreate) |
Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsCreate routine.
Definition at line 94 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelComputeArgumentsDestroyFunction(ModelCompute const *const modelCompute, ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy) |
Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsDestroy routine.
Definition at line 182 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelComputeFunction(ModelCompute const *const modelCompute, ModelComputeArguments const *const modelComputeArgumentsCreate) |
Prototype for MODEL_ROUTINE_NAME::Compute routine.
Definition at line 103 of file KIM_FunctionTypes.hpp.
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.
Definition at line 67 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelDestroyFunction(ModelDestroy *const modelDestroy) |
Prototype for MODEL_ROUTINE_NAME::Destroy routine.
Definition at line 191 of file KIM_FunctionTypes.hpp.
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.
Definition at line 80 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelExtensionFunction(ModelExtension *const modelExtension, void *const extensionStructure) |
Prototype for MODEL_ROUTINE_NAME::Extension routine.
Definition at line 155 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelRefreshFunction(ModelRefresh *const modelRefresh) |
Prototype for MODEL_ROUTINE_NAME::Refresh routine.
Definition at line 164 of file KIM_FunctionTypes.hpp.
typedef int KIM::ModelWriteParameterizedModelFunction(ModelWriteParameterizedModel const *const modelWriteParameterizedModel) |
Prototype for MODEL_ROUTINE_NAME::WriteParameterizedModel routine.
Definition at line 172 of file KIM_FunctionTypes.hpp.
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) |
Prototype for COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine.
Definition at line 143 of file KIM_FunctionTypes.hpp.
typedef int KIM::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.
Definition at line 128 of file KIM_FunctionTypes.hpp.