kim-api
2.1.3+v2.1.3.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
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Typedefs | |
typedef struct KIM_LengthUnit | KIM_LengthUnit |
Forward declaration. More... | |
typedef struct KIM_EnergyUnit | KIM_EnergyUnit |
Forward declaration. More... | |
typedef struct KIM_ChargeUnit | KIM_ChargeUnit |
Forward declaration. More... | |
typedef struct KIM_TemperatureUnit | KIM_TemperatureUnit |
Forward declaration. More... | |
typedef struct KIM_TimeUnit | KIM_TimeUnit |
Forward declaration. More... | |
typedef struct KIM_ModelCreate | KIM_ModelCreate |
Forward declaration. More... | |
typedef struct KIM_ModelDriverCreate | KIM_ModelDriverCreate |
Forward declaration. More... | |
typedef struct KIM_ModelCompute | KIM_ModelCompute |
Forward declaration. More... | |
typedef struct KIM_ModelExtension | KIM_ModelExtension |
Forward declaration. More... | |
typedef struct KIM_ModelComputeArgumentsCreate | KIM_ModelComputeArgumentsCreate |
Forward declaration. More... | |
typedef struct KIM_ModelComputeArguments | KIM_ModelComputeArguments |
Forward declaration. More... | |
typedef struct KIM_ModelRefresh | KIM_ModelRefresh |
Forward declaration. More... | |
typedef struct KIM_ModelWriteParameterizedModel | KIM_ModelWriteParameterizedModel |
Forward declaration. More... | |
typedef struct KIM_ModelComputeArgumentsDestroy | KIM_ModelComputeArgumentsDestroy |
Forward declaration. More... | |
typedef struct KIM_ModelDestroy | KIM_ModelDestroy |
Forward declaration. More... | |
typedef void() | KIM_Function(void) |
Generic function type. More... | |
typedef int | KIM_ModelCreateFunction(KIM_ModelCreate *const modelCreate, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit) |
Prototype for MODEL_ROUTINE_NAME::Create routine. More... | |
typedef int | KIM_ModelDriverCreateFunction(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit) |
Prototype for MODEL_ROUTINE_NAME::Create routine. More... | |
typedef int | KIM_ModelComputeArgumentsCreateFunction(KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsCreate *const modelComputeArgumentsCreate) |
Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsCreate routine. More... | |
typedef int | KIM_ModelComputeFunction(KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArguments const *const modelComputeArguments) |
Prototype for MODEL_ROUTINE_NAME::Compute routine. More... | |
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. More... | |
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. More... | |
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. More... | |
typedef int | KIM_ModelExtensionFunction(KIM_ModelExtension *const modelExtension, void *const extensionStructure) |
Prototype for MODEL_ROUTINE_NAME::Extension routine. More... | |
typedef int | KIM_ModelRefreshFunction(KIM_ModelRefresh *const modelRefresh) |
Prototype for MODEL_ROUTINE_NAME::Refresh routine. More... | |
typedef int | KIM_ModelWriteParameterizedModelFunction(KIM_ModelWriteParameterizedModel const *const modelWriteParameterizedModel) |
Prototype for MODEL_ROUTINE_NAME::WriteParameterizedModel routine. More... | |
typedef int | KIM_ModelComputeArgumentsDestroyFunction(KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy) |
Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsDestroy routine. More... | |
typedef int | KIM_ModelDestroyFunction(KIM_ModelDestroy *const modelDestroy) |
Prototype for MODEL_ROUTINE_NAME::Destroy routine. More... | |
typedef struct KIM_ChargeUnit KIM_ChargeUnit |
typedef struct KIM_EnergyUnit KIM_EnergyUnit |
typedef void() KIM_Function(void) |
Generic function type.
Definition at line 200 of file KIM_FunctionTypes.h.
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 263 of file KIM_FunctionTypes.h.
typedef struct KIM_LengthUnit KIM_LengthUnit |
typedef struct KIM_ModelCompute KIM_ModelCompute |
typedef struct KIM_ModelComputeArguments KIM_ModelComputeArguments |
typedef struct KIM_ModelComputeArgumentsCreate KIM_ModelComputeArgumentsCreate |
typedef int KIM_ModelComputeArgumentsCreateFunction(KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsCreate *const modelComputeArgumentsCreate) |
Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsCreate routine.
Definition at line 240 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelComputeArgumentsDestroy KIM_ModelComputeArgumentsDestroy |
typedef int KIM_ModelComputeArgumentsDestroyFunction(KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArgumentsDestroy *const modelComputeArgumentsDestroy) |
Prototype for MODEL_ROUTINE_NAME::ComputeArgumentsDestroy routine.
Definition at line 343 of file KIM_FunctionTypes.h.
typedef int KIM_ModelComputeFunction(KIM_ModelCompute const *const modelCompute, KIM_ModelComputeArguments const *const modelComputeArguments) |
Prototype for MODEL_ROUTINE_NAME::Compute routine.
Definition at line 251 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelCreate KIM_ModelCreate |
typedef int KIM_ModelCreateFunction(KIM_ModelCreate *const modelCreate, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit) |
Prototype for MODEL_ROUTINE_NAME::Create routine.
Definition at line 210 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelDestroy KIM_ModelDestroy |
typedef int KIM_ModelDestroyFunction(KIM_ModelDestroy *const modelDestroy) |
Prototype for MODEL_ROUTINE_NAME::Destroy routine.
Definition at line 354 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelDriverCreate KIM_ModelDriverCreate |
typedef int KIM_ModelDriverCreateFunction(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit) |
Prototype for MODEL_ROUTINE_NAME::Create routine.
Definition at line 224 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelExtension KIM_ModelExtension |
typedef int KIM_ModelExtensionFunction(KIM_ModelExtension *const modelExtension, void *const extensionStructure) |
Prototype for MODEL_ROUTINE_NAME::Extension routine.
Definition at line 310 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelRefresh KIM_ModelRefresh |
typedef int KIM_ModelRefreshFunction(KIM_ModelRefresh *const modelRefresh) |
Prototype for MODEL_ROUTINE_NAME::Refresh routine.
Definition at line 321 of file KIM_FunctionTypes.h.
typedef struct KIM_ModelWriteParameterizedModel KIM_ModelWriteParameterizedModel |
typedef int KIM_ModelWriteParameterizedModelFunction(KIM_ModelWriteParameterizedModel const *const modelWriteParameterizedModel) |
Prototype for MODEL_ROUTINE_NAME::WriteParameterizedModel routine.
Definition at line 331 of file KIM_FunctionTypes.h.
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 295 of file KIM_FunctionTypes.h.
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 279 of file KIM_FunctionTypes.h.
typedef struct KIM_TemperatureUnit KIM_TemperatureUnit |
typedef struct KIM_TimeUnit KIM_TimeUnit |