KIM API V2
KIM_ModelDriverCreate.h
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23 /* */
24 /* Copyright (c) 2016--2018, Regents of the University of Minnesota. */
25 /* All rights reserved. */
26 /* */
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-beta.1 package. */
33 /* */
34 
35 
36 #ifndef KIM_MODEL_DRIVER_CREATE_H_
37 #define KIM_MODEL_DRIVER_CREATE_H_
38 
39 #ifndef KIM_FUNC_H_
40 #include "KIM_func.h"
41 #endif
42 
43 /* Forward declarations */
44 #ifndef KIM_LOG_VERBOSITY_DEFINED_
45 #define KIM_LOG_VERBOSITY_DEFINED_
47 #endif
48 
49 #ifndef KIM_LANGUAGE_NAME_DEFINED_
50 #define KIM_LANGUAGE_NAME_DEFINED_
52 #endif
53 
54 #ifndef KIM_NUMBERING_DEFINED_
55 #define KIM_NUMBERING_DEFINED_
57 #endif
58 
59 #ifndef KIM_SPECIES_NAME_DEFINED_
60 #define KIM_SPECIES_NAME_DEFINED_
62 #endif
63 
64 #ifndef KIM_SUPPORT_STATUS_DEFINED_
65 #define KIM_SUPPORT_STATUS_DEFINED_
67 #endif
68 
69 #ifndef KIM_LENGTH_UNIT_DEFINED_
70 #define KIM_LENGTH_UNIT_DEFINED_
72 #endif
73 
74 #ifndef KIM_ENERGY_UNIT_DEFINED_
75 #define KIM_ENERGY_UNIT_DEFINED_
77 #endif
78 
79 #ifndef KIM_CHARGE_UNIT_DEFINED_
80 #define KIM_CHARGE_UNIT_DEFINED_
82 #endif
83 
84 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_
85 #define KIM_TEMPERATURE_UNIT_DEFINED_
87 #endif
88 
89 #ifndef KIM_TIME_UNIT_DEFINED_
90 #define KIM_TIME_UNIT_DEFINED_
91 typedef struct KIM_TimeUnit KIM_TimeUnit;
92 #endif
93 
94 
96 
97 #ifndef KIM_MODEL_DRIVER_CREATE_DEFINED_
98 #define KIM_MODEL_DRIVER_CREATE_DEFINED_
100 #endif
101 
102 
104  KIM_ModelDriverCreate * const modelDriverCreate,
105  int * const numberOfParameterFiles);
106 
108  KIM_ModelDriverCreate * const modelDriverCreate,
109  int const index, char const ** const parameterFileName);
110 
112  KIM_ModelDriverCreate * const modelDriverCreate,
113  KIM_Numbering const numbering);
114 
116  KIM_ModelDriverCreate * const modelDriverCreate,
117  double * const influenceDistance);
118 
120  KIM_ModelDriverCreate * const modelDriverCreate,
121  int const numberOfNeighborLists,
122  double const * const cutoffs,
123  int const * const paddingNeighborHints,
124  int const * const halfListHints);
125 
127  KIM_ModelDriverCreate * const modelDriverCreate,
128  KIM_LanguageName const languageName, func * const fptr);
130  KIM_ModelDriverCreate * const modelDriverCreate,
131  KIM_LanguageName const languageName, func * const fptr);
133  KIM_ModelDriverCreate * const modelDriverCreate,
134  KIM_LanguageName const languageName, func * const fptr);
136  KIM_ModelDriverCreate * const modelDriverCreate,
137  KIM_LanguageName const languageName, func * const fptr);
139  KIM_ModelDriverCreate * const modelDriverCreate,
140  KIM_LanguageName const languageName, func * const fptr);
141 
143  KIM_ModelDriverCreate * const modelDriverCreate,
144  KIM_SpeciesName const speciesName, int const code);
145 
147  KIM_ModelDriverCreate * const modelDriverCreate,
148  int const extent, int * const ptr, char const * const description);
150  KIM_ModelDriverCreate * const modelDriverCreate,
151  int const extent, double * const ptr, char const * const description);
152 
154  KIM_ModelDriverCreate * const modelDriverCreate,
155  void * const ptr);
156 
158  KIM_ModelDriverCreate * const modelDriverCreate,
159  KIM_LengthUnit const lengthUnit,
160  KIM_EnergyUnit const energyUnit,
161  KIM_ChargeUnit const chargeUnit,
162  KIM_TemperatureUnit const temperatureUnit,
163  KIM_TimeUnit const timeUnit);
164 
166  KIM_ModelDriverCreate const * const modelDriverCreate,
167  KIM_LengthUnit const fromLengthUnit,
168  KIM_EnergyUnit const fromEnergyUnit,
169  KIM_ChargeUnit const fromChargeUnit,
170  KIM_TemperatureUnit const fromTemperatureUnit,
171  KIM_TimeUnit const fromTimeUnit,
172  KIM_LengthUnit const toLengthUnit,
173  KIM_EnergyUnit const toEnergyUnit,
174  KIM_ChargeUnit const toChargeUnit,
175  KIM_TemperatureUnit const toTemperatureUnit,
176  KIM_TimeUnit const toTimeUnit,
177  double const lengthExponent,
178  double const energyExponent,
179  double const chargeExponent,
180  double const temperatureExponent,
181  double const timeExponent,
182  double * const conversionFactor);
183 
185  KIM_ModelDriverCreate const * const modelDriverCreate,
186  KIM_LogVerbosity const logVerbosity, char const * const message,
187  int const lineNumber, char const * const fileName);
188 
189 char const * const KIM_ModelDriverCreate_String(
190  KIM_ModelDriverCreate const * const modelDriverCreate);
191 
192 #endif /* KIM_MODEL_DRIVE_CREATE_H_ */
void KIM_ModelDriverCreate_GetNumberOfParameterFiles(KIM_ModelDriverCreate *const modelDriverCreate, int *const numberOfParameterFiles)
int KIM_ModelDriverCreate_SetUnits(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LengthUnit const lengthUnit, KIM_EnergyUnit const energyUnit, KIM_ChargeUnit const chargeUnit, KIM_TemperatureUnit const temperatureUnit, KIM_TimeUnit const timeUnit)
char const *const KIM_ModelDriverCreate_String(KIM_ModelDriverCreate const *const modelDriverCreate)
void KIM_ModelDriverCreate_SetInfluenceDistancePointer(KIM_ModelDriverCreate *const modelDriverCreate, double *const influenceDistance)
int KIM_ModelDriverCreate_SetComputeArgumentsCreatePointer(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
int KIM_ModelDriverCreate_SetParameterPointerInteger(KIM_ModelDriverCreate *const modelDriverCreate, int const extent, int *const ptr, char const *const description)
void KIM_ModelDriverCreate_SetNeighborListPointers(KIM_ModelDriverCreate *const modelDriverCreate, int const numberOfNeighborLists, double const *const cutoffs, int const *const paddingNeighborHints, int const *const halfListHints)
struct KIM_ModelDriverCreate KIM_ModelDriverCreate
void() func()
Definition: KIM_func.h:39
int KIM_ModelDriverCreate_ConvertUnit(KIM_ModelDriverCreate const *const modelDriverCreate, KIM_LengthUnit const fromLengthUnit, KIM_EnergyUnit const fromEnergyUnit, KIM_ChargeUnit const fromChargeUnit, KIM_TemperatureUnit const fromTemperatureUnit, KIM_TimeUnit const fromTimeUnit, KIM_LengthUnit const toLengthUnit, KIM_EnergyUnit const toEnergyUnit, KIM_ChargeUnit const toChargeUnit, KIM_TemperatureUnit const toTemperatureUnit, KIM_TimeUnit const toTimeUnit, double const lengthExponent, double const energyExponent, double const chargeExponent, double const temperatureExponent, double const timeExponent, double *const conversionFactor)
int KIM_ModelDriverCreate_SetParameterPointerDouble(KIM_ModelDriverCreate *const modelDriverCreate, int const extent, double *const ptr, char const *const description)
int KIM_ModelDriverCreate_GetParameterFileName(KIM_ModelDriverCreate *const modelDriverCreate, int const index, char const **const parameterFileName)
int KIM_ModelDriverCreate_SetSpeciesCode(KIM_ModelDriverCreate *const modelDriverCreate, KIM_SpeciesName const speciesName, int const code)
int KIM_ModelDriverCreate_SetComputePointer(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
int KIM_ModelDriverCreate_SetComputeArgumentsDestroyPointer(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
int KIM_ModelDriverCreate_SetDestroyPointer(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
void KIM_ModelDriverCreate_SetModelBufferPointer(KIM_ModelDriverCreate *const modelDriverCreate, void *const ptr)
int KIM_ModelDriverCreate_SetModelNumbering(KIM_ModelDriverCreate *const modelDriverCreate, KIM_Numbering const numbering)
int KIM_ModelDriverCreate_SetRefreshPointer(KIM_ModelDriverCreate *const modelDriverCreate, KIM_LanguageName const languageName, func *const fptr)
void KIM_ModelDriverCreate_LogEntry(KIM_ModelDriverCreate const *const modelDriverCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)