KIM_FunctionTypes.h

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/*                                                                            */
/* Copyright (c) 2016--2019, Regents of the University of Minnesota.          */
/* All rights reserved.                                                       */
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/* Contributors:                                                              */
/*    Ryan S. Elliott                                                         */
/*                                                                            */

/*                                                                            */
/* Release: This file is part of the kim-api-2.1.2 package.                   */
/*                                                                            */


#ifndef KIM_FUNCTION_TYPES_H_
#define KIM_FUNCTION_TYPES_H_

/* Forward declarations */
#ifndef KIM_LENGTH_UNIT_DEFINED_
#define KIM_LENGTH_UNIT_DEFINED_

typedef struct KIM_LengthUnit KIM_LengthUnit;
#endif

#ifndef KIM_ENERGY_UNIT_DEFINED_
#define KIM_ENERGY_UNIT_DEFINED_

typedef struct KIM_EnergyUnit KIM_EnergyUnit;
#endif

#ifndef KIM_CHARGE_UNIT_DEFINED_
#define KIM_CHARGE_UNIT_DEFINED_

typedef struct KIM_ChargeUnit KIM_ChargeUnit;
#endif

#ifndef KIM_TEMPERATURE_UNIT_DEFINED_
#define KIM_TEMPERATURE_UNIT_DEFINED_

typedef struct KIM_TemperatureUnit KIM_TemperatureUnit;
#endif

#ifndef KIM_TIME_UNIT_DEFINED_
#define KIM_TIME_UNIT_DEFINED_

typedef struct KIM_TimeUnit KIM_TimeUnit;
#endif

#ifndef KIM_MODEL_CREATE_DEFINED_
#define KIM_MODEL_CREATE_DEFINED_

typedef struct KIM_ModelCreate KIM_ModelCreate;
#endif

#ifndef KIM_MODEL_DRIVER_CREATE_DEFINED_
#define KIM_MODEL_DRIVER_CREATE_DEFINED_

typedef struct KIM_ModelDriverCreate KIM_ModelDriverCreate;
#endif

#ifndef KIM_MODEL_COMPUTE_DEFINED_
#define KIM_MODEL_COMPUTE_DEFINED_

typedef struct KIM_ModelCompute KIM_ModelCompute;
#endif

#ifndef KIM_MODEL_EXTENSION_DEFINED_
#define KIM_MODEL_EXTENSION_DEFINED_

typedef struct KIM_ModelExtension KIM_ModelExtension;
#endif

#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_CREATE_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_CREATE_DEFINED_

typedef struct KIM_ModelComputeArgumentsCreate KIM_ModelComputeArgumentsCreate;
#endif

#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_

typedef struct KIM_ModelComputeArguments KIM_ModelComputeArguments;
#endif

#ifndef KIM_MODEL_REFRESH_DEFINED_
#define KIM_MODEL_REFRESH_DEFINED_

typedef struct KIM_ModelRefresh KIM_ModelRefresh;
#endif

#ifndef KIM_MODEL_WRITE_PARAMETERIZED_MODEL_DEFINED_
#define KIM_MODEL_WRITE_PARAMETERIZED_MODEL_DEFINED_

typedef struct KIM_ModelWriteParameterizedModel
    KIM_ModelWriteParameterizedModel;
#endif

#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DESTROY_DEFINED_
#define KIM_MODEL_COMPUTE_ARGUMENTS_DESTROY_DEFINED_

typedef struct KIM_ModelComputeArgumentsDestroy
    KIM_ModelComputeArgumentsDestroy;
#endif

#ifndef KIM_MODEL_DESTROY_DEFINED_
#define KIM_MODEL_DESTROY_DEFINED_

typedef struct KIM_ModelDestroy KIM_ModelDestroy;
#endif


typedef void(KIM_Function)(void); /* Generic function pointer */

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);

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);

typedef int KIM_ModelComputeArgumentsCreateFunction(
    KIM_ModelCompute const * const modelCompute,
    KIM_ModelComputeArgumentsCreate * const modelComputeArgumentsCreate);

typedef int KIM_ModelComputeFunction(
    KIM_ModelCompute const * const modelCompute,
    KIM_ModelComputeArguments const * const modelComputeArguments);

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);

typedef int KIM_ProcessDEDrTermFunction(void * const dataObject,
                                        double const de,
                                        double const r,
                                        double const * const dx,
                                        int const i,
                                        int const j);

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);

typedef int
KIM_ModelExtensionFunction(KIM_ModelExtension * const modelExtension,
                           void * const extensionStructure);

typedef int KIM_ModelRefreshFunction(KIM_ModelRefresh * const modelRefresh);

typedef int KIM_ModelWriteParameterizedModelFunction(
    KIM_ModelWriteParameterizedModel const * const
        modelWriteParameterizedModel);

typedef int KIM_ModelComputeArgumentsDestroyFunction(
    KIM_ModelCompute const * const modelCompute,
    KIM_ModelComputeArgumentsDestroy * const modelComputeArgumentsDestroy);

typedef int KIM_ModelDestroyFunction(KIM_ModelDestroy * const modelDestroy);

#endif /* KIM_FUNCTION_TYPES_H_ */