31 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_HPP_ 32 #define KIM_MODEL_COMPUTE_ARGUMENTS_HPP_ 41 class ComputeArgumentName;
42 class ComputeCallbackName;
43 class ModelComputeArgumentsImplementation;
81 int const particleNumber,
82 int *
const numberOfNeighbors,
83 int const **
const neighborsOfParticle)
const;
114 double const *
const dx,
143 double const *
const r,
144 double const *
const dx,
146 int const *
const j)
const;
163 int const **
const ptr)
const;
167 int **
const ptr)
const;
171 double const **
const ptr)
const;
175 double **
const ptr)
const;
195 int *
const present)
const;
244 std::string
const & message,
245 int const lineNumber,
246 std::string
const & fileName)
const;
250 std::stringstream
const & message,
251 int const lineNumber,
252 std::string
const & fileName)
const;
265 std::string
const &
ToString()
const;
275 ModelComputeArgumentsImplementation * pimpl;
279 #endif // KIM_MODEL_COMPUTE_ARGUMENTS_HPP_
int ProcessDEDrTerm(double const de, double const r, double const *const dx, int const i, int const j) const
Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessDEDrTerm routine.
int ProcessD2EDr2Term(double const de, double const *const r, double const *const dx, int const *const i, int const *const j) const
Call the Simulator's COMPUTE_CALLBACK_NAME::ProcessD2EDr2Term routine.
An Extensible Enumeration for the ComputeCallbackName's supported by the KIM API. ...
int GetArgumentPointer(ComputeArgumentName const computeArgumentName, int const **const ptr) const
Get the data pointer for a ComputeArgumentName.
std::string const & ToString() const
Get a string representing the internal state of the ComputeArguments object.
void SetModelBufferPointer(void *const ptr)
Set the Model's buffer pointer within the ComputeArguments object.
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
void LogEntry(LogVerbosity const logVerbosity, std::string const &message, int const lineNumber, std::string const &fileName) const
Write a log entry into the log file.
Provides the interface to a KIM API ComputeArguments object for use by models within their MODEL_ROUT...
An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API. ...
int GetNeighborList(int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle) const
Get the neighbor list for a particle of interest corresponding to a particular neighbor list cutoff d...
void GetModelBufferPointer(void **const ptr) const
Get the Model's buffer pointer within the ComputeArguments object.
int IsCallbackPresent(ComputeCallbackName const computeCallbackName, int *const present) const
Determine if the Simulator has provided a non-NULL function pointer for a ComputeCallbackName of inte...