KIM API V2
KIM_ModelCompute.h
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27 /* Contributors: */
28 /* Ryan S. Elliott */
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30 
31 /* */
32 /* Release: This file is part of the kim-api-v2.0.0-alpha.0 package. */
33 /* */
34 
35 
36 #ifndef KIM_MODEL_COMPUTE_H_
37 #define KIM_MODEL_COMPUTE_H_
38 
39 /* Forward declarations */
40 #ifndef KIM_LOG_VERBOSITY_DEFINED_
41 #define KIM_LOG_VERBOSITY_DEFINED_
43 #endif
44 
45 #ifndef KIM_ARGUMENT_NAME_DEFINED_
46 #define KIM_ARGUMENT_NAME_DEFINED_
48 #endif
49 
50 #ifndef KIM_CALLBACK_NAME_DEFINED_
51 #define KIM_CALLBACK_NAME_DEFINED_
53 #endif
54 
55 
56 struct KIM_ModelCompute;
57 
58 #ifndef KIM_MODEL_COMPUTE_DEFINED_
59 #define KIM_MODEL_COMPUTE_DEFINED_
61 #endif
62 
64  KIM_ModelCompute const * const modelCompute,
65  int const neighborListIndex,
66  int const particleNumber,
67  int * const numberOfNeighbors,
68  int const ** const neighborsOfParticle);
69 
71  KIM_ModelCompute const * const modelCompute,
72  double const de, double const r,
73  double const * const dx, int const i,
74  int const j);
75 
77  KIM_ModelCompute const * const modelCompute,
78  double const de, double const * const r,
79  double const * const dx,
80  int const * const i,
81  int const * const j);
82 
84  KIM_ModelCompute const * const modelCompute,
85  KIM_ArgumentName const argumentName,
86  int ** const ptr);
87 
89  KIM_ModelCompute const * const modelCompute,
90  KIM_ArgumentName const argumentName, double ** const ptr);
91 
93  KIM_ModelCompute const * const modelCompute,
94  KIM_CallbackName const callbackName, int * const present);
95 
97  KIM_ModelCompute const * const modelCompute, void ** const ptr);
98 
100  KIM_ModelCompute const * const modelCompute,
101  KIM_LogVerbosity const logVerbosity, char const * const message,
102  int const lineNumber, char const * const fileName);
103 
104 char const * const KIM_ModelCompute_String(
105  KIM_ModelCompute const * const modelCompute);
106 
107 #endif /* KIM_MODEL_COMPUTE_H_ */
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