35 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 36 #define KIM_LOG_VERBOSITY_DEFINED_ 45 #ifndef KIM_DATA_TYPE_DEFINED_ 46 #define KIM_DATA_TYPE_DEFINED_ 55 #ifndef KIM_MODEL_ROUTINE_NAME_DEFINED_ 56 #define KIM_MODEL_ROUTINE_NAME_DEFINED_ 65 #ifndef KIM_SPECIES_NAME_DEFINED_ 66 #define KIM_SPECIES_NAME_DEFINED_ 75 #ifndef KIM_NUMBERING_DEFINED_ 76 #define KIM_NUMBERING_DEFINED_ 85 #ifndef KIM_LENGTH_UNIT_DEFINED_ 86 #define KIM_LENGTH_UNIT_DEFINED_ 95 #ifndef KIM_ENERGY_UNIT_DEFINED_ 96 #define KIM_ENERGY_UNIT_DEFINED_ 105 #ifndef KIM_CHARGE_UNIT_DEFINED_ 106 #define KIM_CHARGE_UNIT_DEFINED_ 115 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_ 116 #define KIM_TEMPERATURE_UNIT_DEFINED_ 125 #ifndef KIM_TIME_UNIT_DEFINED_ 126 #define KIM_TIME_UNIT_DEFINED_ 135 #ifndef KIM_COMPUTE_ARGUMENTS_DEFINED_ 136 #define KIM_COMPUTE_ARGUMENTS_DEFINED_ 146 #ifndef KIM_MODEL_DEFINED_ 147 #define KIM_MODEL_DEFINED_ 171 char const *
const modelName,
172 int *
const requestedUnitsAccepted,
205 double *
const influenceDistance);
218 int *
const numberOfNeighborLists,
219 double const **
const cutoffs,
220 int const **
const modelWillNotRequestNeighborsOfNoncontributingParticles);
278 char const *
const extensionID,
279 void *
const extensionStructure);
299 char const *
const path,
300 char const *
const modelName);
312 int *
const speciesIsSupported,
324 int *
const numberOfParameters);
335 int const parameterIndex,
338 char const **
const name,
339 char const **
const description);
351 int const parameterIndex,
352 int const arrayIndex,
353 int *
const parameterValue);
365 int const parameterIndex,
366 int const arrayIndex,
367 double *
const parameterValue);
378 int const parameterIndex,
379 int const arrayIndex,
380 int const parameterValue);
391 int const parameterIndex,
392 int const arrayIndex,
393 double const parameterValue);
struct KIM_ComputeArguments KIM_ComputeArguments
Provides the primary interface to a KIM API ComputeArguments object and is meant to be used by simula...
void KIM_Model_GetInfluenceDistance(KIM_Model const *const model, double *const influenceDistance)
Get the Model's influence distance.
int KIM_Model_WriteParameterizedModel(KIM_Model const *const model, char const *const path, char const *const modelName)
Call the Model's MODEL_ROUTINE_NAME::WriteParameterizedModel routine.
void KIM_Model_GetUnits(KIM_Model const *const model, KIM_LengthUnit *const lengthUnit, KIM_EnergyUnit *const energyUnit, KIM_ChargeUnit *const chargeUnit, KIM_TemperatureUnit *const temperatureUnit, KIM_TimeUnit *const timeUnit)
Get the Model's base unit values.
int KIM_Model_GetParameterMetadata(KIM_Model const *const model, int const parameterIndex, KIM_DataType *const dataType, int *const extent, char const **const name, char const **const description)
Get the metadata associated with one of the Model's parameter arrays.
void KIM_Model_Destroy(KIM_Model **const model)
Destroy a previously Model::Create'd object.
void KIM_Model_PushLogVerbosity(KIM_Model *const model, KIM_LogVerbosity const logVerbosity)
Push a new LogVerbosity onto the Model object's Log object verbosity stack.
void KIM_Model_GetNeighborListPointers(KIM_Model const *const model, int *const numberOfNeighborLists, double const **const cutoffs, int const **const modelWillNotRequestNeighborsOfNoncontributingParticles)
Get the Model's neighbor list information.
An Extensible Enumeration for the EnergyUnit's supported by the KIM API.
void KIM_Model_PopLogVerbosity(KIM_Model *const model)
Pop a LogVerbosity from the Model object's Log object verbosity stack.
int KIM_Model_GetSpeciesSupportAndCode(KIM_Model const *const model, KIM_SpeciesName const speciesName, int *const speciesIsSupported, int *const code)
Get the Model's support and code for the requested SpeciesName.
An Extensible Enumeration for the LengthUnit's supported by the KIM API.
An Extensible Enumeration for the ChargeUnit's supported by the KIM API.
int KIM_Model_SetParameterDouble(KIM_Model *const model, int const parameterIndex, int const arrayIndex, double const parameterValue)
Set a parameter value for the Model.
void KIM_Model_SetSimulatorBufferPointer(KIM_Model *const model, void *const ptr)
Set the Simulator's buffer pointer within the Model object.
SupportStatus const required
The standard required status.
int KIM_Model_ComputeArgumentsCreate(KIM_Model const *const model, KIM_ComputeArguments **const computeArguments)
Create a new ComputeArguments object for the Model object.
char const * KIM_Model_ToString(KIM_Model const *const model)
Get a string representing the internal state of the Model object.
An Extensible Enumeration for the Numbering's supported by the KIM API.
int KIM_Model_SetParameterInteger(KIM_Model *const model, int const parameterIndex, int const arrayIndex, int const parameterValue)
Set a parameter value for the Model.
An Extensible Enumeration for the DataType's supported by the KIM API.
int KIM_Model_GetParameterDouble(KIM_Model const *const model, int const parameterIndex, int const arrayIndex, double *const parameterValue)
Get a parameter value from the Model.
An Extensible Enumeration for the ModelRoutineName's supported by the KIM API.
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
int KIM_Model_Create(KIM_Numbering const numbering, KIM_LengthUnit const requestedLengthUnit, KIM_EnergyUnit const requestedEnergyUnit, KIM_ChargeUnit const requestedChargeUnit, KIM_TemperatureUnit const requestedTemperatureUnit, KIM_TimeUnit const requestedTimeUnit, char const *const modelName, int *const requestedUnitsAccepted, KIM_Model **const model)
Create a new KIM API Model object.
void KIM_Model_GetNumberOfParameters(KIM_Model const *const model, int *const numberOfParameters)
Get the number of parameter arrays provided by the Model.
An Extensible Enumeration for the TimeUnit's supported by the KIM API.
int KIM_Model_ClearThenRefresh(KIM_Model *const model)
Clear influence distance and neighbor list pointers and refresh Model object after parameter changes...
int KIM_Model_ComputeArgumentsDestroy(KIM_Model const *const model, KIM_ComputeArguments **const computeArguments)
Destroy a previously Model::ComputeArgumentsCreate'd object.
int KIM_Model_Extension(KIM_Model *const model, char const *const extensionID, void *const extensionStructure)
Call the Model's MODEL_ROUTINE_NAME::Extension routine.
int KIM_Model_IsRoutinePresent(KIM_Model const *const model, KIM_ModelRoutineName const modelRoutineName, int *const present, int *const required)
Determine presence and required status of the given ModelRoutineName.
int KIM_Model_GetParameterInteger(KIM_Model const *const model, int const parameterIndex, int const arrayIndex, int *const parameterValue)
Get a parameter value from the Model.
int KIM_Model_Compute(KIM_Model const *const model, KIM_ComputeArguments const *const computeArguments)
Call the Model's MODEL_ROUTINE_NAME::Compute routine.
void KIM_Model_GetSimulatorBufferPointer(KIM_Model const *const model, void **const ptr)
Get the Simulator's buffer pointer from the Model object.
An Extensible Enumeration for the TemperatureUnit's supported by the KIM API.
void KIM_Model_SetLogID(KIM_Model *const model, char const *const logID)
Set the identity of the Log object associated with the Model object.
struct KIM_Model KIM_Model
Provides the primary interface to a KIM API Model object and is meant to be used by simulators...
An Extensible Enumeration for the SpeciesName's supported by the KIM API.