36 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_H_ 37 #define KIM_MODEL_COMPUTE_ARGUMENTS_H_ 40 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 41 #define KIM_LOG_VERBOSITY_DEFINED_ 50 #ifndef KIM_COMPUTE_ARGUMENT_NAME_DEFINED_ 51 #define KIM_COMPUTE_ARGUMENT_NAME_DEFINED_ 60 #ifndef KIM_COMPUTE_CALLBACK_NAME_DEFINED_ 61 #define KIM_COMPUTE_CALLBACK_NAME_DEFINED_ 71 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_ 72 #define KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_ 94 int const neighborListIndex,
95 int const particleNumber,
96 int *
const numberOfNeighbors,
97 int const **
const neighborsOfParticle);
111 double const *
const dx,
126 double const *
const r,
127 double const *
const dx,
129 int const *
const j);
155 double **
const ptr);
168 int *
const present);
204 char const *
const message,
205 int const lineNumber,
206 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.