36 #ifndef KIM_MODEL_COMPUTE_H_ 37 #define KIM_MODEL_COMPUTE_H_ 40 #ifndef KIM_LOG_VERBOSITY_DEFINED_ 41 #define KIM_LOG_VERBOSITY_DEFINED_ 45 #ifndef KIM_ARGUMENT_NAME_DEFINED_ 46 #define KIM_ARGUMENT_NAME_DEFINED_ 50 #ifndef KIM_CALLBACK_NAME_DEFINED_ 51 #define KIM_CALLBACK_NAME_DEFINED_ 58 #ifndef KIM_MODEL_COMPUTE_DEFINED_ 59 #define KIM_MODEL_COMPUTE_DEFINED_ 65 int const neighborListIndex,
66 int const particleNumber,
67 int *
const numberOfNeighbors,
68 int const **
const neighborsOfParticle);
72 double const de,
double const r,
73 double const *
const dx,
int const i,
78 double const de,
double const *
const r,
79 double const *
const dx,
102 int const lineNumber,
char const *
const fileName);
char const *const KIM_ModelCompute_String(KIM_ModelCompute const *const modelCompute)
int KIM_ModelCompute_GetNeighborList(KIM_ModelCompute const *const modelCompute, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)
void KIM_ModelCompute_GetModelBufferPointer(KIM_ModelCompute const *const modelCompute, void **const ptr)
int KIM_ModelCompute_IsCallbackPresent(KIM_ModelCompute const *const modelCompute, KIM_CallbackName const callbackName, int *const present)
int KIM_ModelCompute_GetArgumentPointerInteger(KIM_ModelCompute const *const modelCompute, KIM_ArgumentName const argumentName, int **const ptr)
void KIM_ModelCompute_LogEntry(KIM_ModelCompute const *const modelCompute, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
int KIM_ModelCompute_ProcessDEDrTerm(KIM_ModelCompute const *const modelCompute, double const de, double const r, double const *const dx, int const i, int const j)
int KIM_ModelCompute_ProcessD2EDr2Term(KIM_ModelCompute const *const modelCompute, double const de, double const *const r, double const *const dx, int const *const i, int const *const j)
int KIM_ModelCompute_GetArgumentPointerDouble(KIM_ModelCompute const *const modelCompute, KIM_ArgumentName const argumentName, double **const ptr)
struct KIM_ModelCompute KIM_ModelCompute