31 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_H_ 32 #define KIM_MODEL_COMPUTE_ARGUMENTS_H_ 35 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 36 #define KIM_LOG_VERBOSITY_DEFINED_ 45 #ifndef KIM_COMPUTE_ARGUMENT_NAME_DEFINED_ 46 #define KIM_COMPUTE_ARGUMENT_NAME_DEFINED_ 55 #ifndef KIM_COMPUTE_CALLBACK_NAME_DEFINED_ 56 #define KIM_COMPUTE_CALLBACK_NAME_DEFINED_ 66 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_ 67 #define KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_ 89 int const neighborListIndex,
90 int const particleNumber,
91 int *
const numberOfNeighbors,
92 int const **
const neighborsOfParticle);
106 double const *
const dx,
121 double const *
const r,
122 double const *
const dx,
124 int const *
const j);
150 double **
const ptr);
163 int *
const present);
199 char const *
const message,
200 int const lineNumber,
201 char const *
const fileName);
An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API. ...
void KIM_ModelComputeArguments_LogEntry(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
Write a log entry into the log file.
int KIM_ModelComputeArguments_GetArgumentPointerDouble(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_ComputeArgumentName const computeArgumentName, double **const ptr)
Get the data pointer for a ComputeArgumentName.
int KIM_ModelComputeArguments_ProcessD2EDr2Term(KIM_ModelComputeArguments const *const modelComputeArguments, double const de, double const *const r, double const *const dx, int const *const i, int const *const j)
Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine.
int KIM_ModelComputeArguments_IsCallbackPresent(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_ComputeCallbackName const computeCallbackName, int *const present)
Determine if the Simulator has provided a non-NULL function pointer for a ComputeCallbackName of inte...
void KIM_ModelComputeArguments_GetModelBufferPointer(KIM_ModelComputeArguments const *const modelComputeArguments, void **const ptr)
Get the Model's buffer pointer within the ComputeArguments object.
char const * KIM_ModelComputeArguments_ToString(KIM_ModelComputeArguments const *const modelComputeArguments)
Get a string representing the internal state of the ComputeArguments object.
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
An Extensible Enumeration for the ComputeCallbackName's supported by the KIM API. ...
int KIM_ModelComputeArguments_GetNeighborList(KIM_ModelComputeArguments const *const modelComputeArguments, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)
Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff d...
void KIM_ModelComputeArguments_SetModelBufferPointer(KIM_ModelComputeArguments *const modelComputeArguments, void *const ptr)
Set the Model's buffer pointer within the ComputeArguments object.
int KIM_ModelComputeArguments_ProcessDEDrTerm(KIM_ModelComputeArguments const *const modelComputeArguments, double const de, double const r, double const *const dx, int const i, int const j)
Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessDEDrTerm routine.
struct KIM_ModelComputeArguments KIM_ModelComputeArguments
Forward declaration.
int KIM_ModelComputeArguments_GetArgumentPointerInteger(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_ComputeArgumentName const computeArgumentName, int **const ptr)
Get the data pointer for a ComputeArgumentName.