KIM API V2
KIM_ModelComputeArguments.h
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28 /* Ryan S. Elliott */
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32 /* Release: This file is part of the kim-api-v2.0.0-beta.0 package. */
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34 
35 
36 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_H_
37 #define KIM_MODEL_COMPUTE_ARGUMENTS_H_
38 
39 /* Forward declarations */
40 #ifndef KIM_LOG_VERBOSITY_DEFINED_
41 #define KIM_LOG_VERBOSITY_DEFINED_
43 #endif
44 
45 #ifndef KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
46 #define KIM_COMPUTE_ARGUMENT_NAME_DEFINED_
48 #endif
49 
50 #ifndef KIM_COMPUTE_CALLBACK_NAME_DEFINED_
51 #define KIM_COMPUTE_CALLBACK_NAME_DEFINED_
53 #endif
54 
55 
57 
58 #ifndef KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
59 #define KIM_MODEL_COMPUTE_ARGUMENTS_DEFINED_
61 #endif
62 
64  KIM_ModelComputeArguments const * const modelComputeArguments,
65  int const neighborListIndex,
66  int const particleNumber,
67  int * const numberOfNeighbors,
68  int const ** const neighborsOfParticle);
69 
71  KIM_ModelComputeArguments const * const modelComputeArguments,
72  double const de, double const r,
73  double const * const dx, int const i,
74  int const j);
75 
77  KIM_ModelComputeArguments const * const modelComputeArguments,
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_ModelComputeArguments const * const modelComputeArguments,
85  KIM_ComputeArgumentName const computeArgumentName,
86  int ** const ptr);
88  KIM_ModelComputeArguments const * const modelComputeArguments,
89  KIM_ComputeArgumentName const computeArgumentName, double ** const ptr);
90 
92  KIM_ModelComputeArguments const * const modelComputeArguments,
93  KIM_ComputeCallbackName const computeCallbackName, int * const present);
94 
96  KIM_ModelComputeArguments * const modelComputeArguments,
97  void * const ptr);
99  KIM_ModelComputeArguments const * const modelComputeArguments,
100  void ** const ptr);
101 
103  KIM_ModelComputeArguments const * const modelComputeArguments,
104  KIM_LogVerbosity const logVerbosity, char const * const message,
105  int const lineNumber, char const * const fileName);
106 
107 char const * const KIM_ModelComputeArguments_String(
108  KIM_ModelComputeArguments const * const modelComputeArguments);
109 
110 #endif /* KIM_MODEL_COMPUTE_ARGUMENTS_H_ */
void KIM_ModelComputeArguments_LogEntry(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
int KIM_ModelComputeArguments_GetArgumentPointerDouble(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_ComputeArgumentName const computeArgumentName, double **const ptr)
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)
int KIM_ModelComputeArguments_IsCallbackPresent(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_ComputeCallbackName const computeCallbackName, int *const present)
void KIM_ModelComputeArguments_GetModelBufferPointer(KIM_ModelComputeArguments const *const modelComputeArguments, void **const ptr)
char const *const KIM_ModelComputeArguments_String(KIM_ModelComputeArguments const *const modelComputeArguments)
struct KIM_ModelComputeArguments KIM_ModelComputeArguments
int KIM_ModelComputeArguments_GetNeighborList(KIM_ModelComputeArguments const *const modelComputeArguments, int const neighborListIndex, int const particleNumber, int *const numberOfNeighbors, int const **const neighborsOfParticle)
void KIM_ModelComputeArguments_SetModelBufferPointer(KIM_ModelComputeArguments *const modelComputeArguments, void *const ptr)
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)
int KIM_ModelComputeArguments_GetArgumentPointerInteger(KIM_ModelComputeArguments const *const modelComputeArguments, KIM_ComputeArgumentName const computeArgumentName, int **const ptr)