31#ifndef KIM_MODEL_COMPUTE_ARGUMENTS_HPP_
32#define KIM_MODEL_COMPUTE_ARGUMENTS_HPP_
41class ComputeArgumentName;
42class ComputeCallbackName;
43class 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;
275 ModelComputeArgumentsImplementation * pimpl;
An Extensible Enumeration for the ComputeArgumentName's supported by the KIM API.
An Extensible Enumeration for the ComputeCallbackName's supported by the KIM API.
An Extensible Enumeration for the LogVerbosity's supported by the KIM API.
Provides the interface to a KIM API ComputeArguments object for use by models within their MODEL_ROUT...
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.
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 SetModelBufferPointer(void *const ptr)
Set the Model's buffer pointer within the ComputeArguments object.
void GetModelBufferPointer(void **const ptr) const
Get the Model's buffer pointer within the ComputeArguments object.
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.
std::string const & ToString() const
Get a string representing the internal state of the ComputeArguments object.
int GetArgumentPointer(ComputeArgumentName const computeArgumentName, int const **const ptr) const
Get the data pointer for a ComputeArgumentName.
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.
int GetArgumentPointer(ComputeArgumentName const computeArgumentName, double **const ptr) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
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...
int GetArgumentPointer(ComputeArgumentName const computeArgumentName, int **const ptr) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
void LogEntry(LogVerbosity const logVerbosity, std::stringstream const &message, int const lineNumber, std::string const &fileName) const
This is an overloaded member function, provided for convenience. It differs from the above function o...
int GetArgumentPointer(ComputeArgumentName const computeArgumentName, double const **const ptr) const
This is an overloaded member function, provided for convenience. It differs from the above function o...