44 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 45 #define KIM_LOG_VERBOSITY_DEFINED_ 49 #ifndef KIM_SPECIES_NAME_DEFINED_ 50 #define KIM_SPECIES_NAME_DEFINED_ 54 #ifndef KIM_LANGUAGE_NAME_DEFINED_ 55 #define KIM_LANGUAGE_NAME_DEFINED_ 59 #ifndef KIM_NUMBERING_DEFINED_ 60 #define KIM_NUMBERING_DEFINED_ 64 #ifndef KIM_LENGTH_UNIT_DEFINED_ 65 #define KIM_LENGTH_UNIT_DEFINED_ 69 #ifndef KIM_DATA_TYPE_DEFINED_ 70 #define KIM_DATA_TYPE_DEFINED_ 74 #ifndef KIM_ENERGY_UNIT_DEFINED_ 75 #define KIM_ENERGY_UNIT_DEFINED_ 79 #ifndef KIM_CHARGE_UNIT_DEFINED_ 80 #define KIM_CHARGE_UNIT_DEFINED_ 84 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_ 85 #define KIM_TEMPERATURE_UNIT_DEFINED_ 89 #ifndef KIM_TIME_UNIT_DEFINED_ 90 #define KIM_TIME_UNIT_DEFINED_ 94 #ifndef KIM_ARGUMENT_NAME_DEFINED_ 95 #define KIM_ARGUMENT_NAME_DEFINED_ 99 #ifndef KIM_CALLBACK_NAME_DEFINED_ 100 #define KIM_CALLBACK_NAME_DEFINED_ 104 #ifndef KIM_SUPPORT_STATUS_DEFINED_ 105 #define KIM_SUPPORT_STATUS_DEFINED_ 112 #ifndef KIM_MODEL_DEFINED_ 113 #define KIM_MODEL_DEFINED_ 123 char const *
const modelName,
124 int *
const requestedUnitsAccepted,
129 double *
const influenceDistance);
132 int *
const numberOfCutoffs,
133 double const **
const cutoffs);
152 int const *
const ptr);
156 double const *
const ptr);
161 void const *
const dataObject);
169 int *
const speciesIsSupported,
173 int *
const numberOfParameters);
175 KIM_Model const *
const model,
int const parameterIndex,
177 char const **
const description);
179 int const parameterIndex,
180 int const arrayIndex,
181 int *
const parameterValue);
183 int const parameterIndex,
184 int const arrayIndex,
185 double *
const parameterValue);
187 int const parameterIndex,
188 int const arrayIndex,
189 int const parameterValue);
191 int const parameterIndex,
192 int const arrayIndex,
193 double const parameterValue);
void KIM_Model_GetInfluenceDistance(KIM_Model const *const model, double *const influenceDistance)
int KIM_Model_SetArgumentPointerDouble(KIM_Model *const model, KIM_ArgumentName const argumentName, double const *const ptr)
int KIM_Model_GetArgumentSupportStatus(KIM_Model const *const model, KIM_ArgumentName const argumentName, KIM_SupportStatus *const supportStatus)
int KIM_Model_SetCallbackPointer(KIM_Model *const model, KIM_CallbackName const callbackName, KIM_LanguageName const languageName, func *const fptr, void const *const dataObject)
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)
void KIM_Model_GetNeighborListCutoffsPointer(KIM_Model const *const model, int *const numberOfCutoffs, double const **const cutoffs)
void KIM_Model_Destroy(KIM_Model **const model)
void KIM_Model_PushLogVerbosity(KIM_Model *const model, KIM_LogVerbosity const logVerbosity)
void KIM_Model_PopLogVerbosity(KIM_Model *const model)
int KIM_Model_GetSpeciesSupportAndCode(KIM_Model const *const model, KIM_SpeciesName const speciesName, int *const speciesIsSupported, int *const code)
int KIM_Model_GetParameterDataTypeExtentAndDescription(KIM_Model const *const model, int const parameterIndex, KIM_DataType *const dataType, int *const extent, char const **const description)
int KIM_Model_SetParameterDouble(KIM_Model *const model, int const parameterIndex, int const arrayIndex, double const parameterValue)
void KIM_Model_SetSimulatorBufferPointer(KIM_Model *const model, void *const ptr)
int KIM_Model_SetParameterInteger(KIM_Model *const model, int const parameterIndex, int const arrayIndex, int const parameterValue)
int KIM_Model_GetParameterDouble(KIM_Model const *const model, int const parameterIndex, int const arrayIndex, double *const parameterValue)
char const *const KIM_Model_String(KIM_Model const *const model)
int KIM_Model_ClearInfluenceDistanceAndCutoffsThenRefreshModel(KIM_Model *const model)
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)
void KIM_Model_GetNumberOfParameters(KIM_Model const *const model, int *const numberOfParameters)
int KIM_Model_Compute(KIM_Model const *const model)
int KIM_Model_GetParameterInteger(KIM_Model const *const model, int const parameterIndex, int const arrayIndex, int *const parameterValue)
void KIM_Model_GetSimulatorBufferPointer(KIM_Model const *const model, void **const ptr)
void KIM_Model_SetLogID(KIM_Model *const model, char const *const logID)
struct KIM_Model KIM_Model
int KIM_Model_SetArgumentPointerInteger(KIM_Model *const model, KIM_ArgumentName const argumentName, int const *const ptr)
int KIM_Model_GetCallbackSupportStatus(KIM_Model const *const model, KIM_CallbackName const callbackName, KIM_SupportStatus *const supportStatus)