KIM API V2
KIM_ModelCreate.h
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22 
23 /* */
24 /* Copyright (c) 2016--2018, Regents of the University of Minnesota. */
25 /* All rights reserved. */
26 /* */
27 /* Contributors: */
28 /* Ryan S. Elliott */
29 /* */
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_CREATE_H_
37 #define KIM_MODEL_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_SPECIES_NAME_DEFINED_
50 #define KIM_SPECIES_NAME_DEFINED_
52 #endif
53 
54 #ifndef KIM_LANGUAGE_NAME_DEFINED_
55 #define KIM_LANGUAGE_NAME_DEFINED_
57 #endif
58 
59 #ifndef KIM_NUMBERING_DEFINED_
60 #define KIM_NUMBERING_DEFINED_
62 #endif
63 
64 #ifndef KIM_LENGTH_UNIT_DEFINED_
65 #define KIM_LENGTH_UNIT_DEFINED_
67 #endif
68 
69 #ifndef KIM_ENERGY_UNIT_DEFINED_
70 #define KIM_ENERGY_UNIT_DEFINED_
72 #endif
73 
74 #ifndef KIM_CHARGE_UNIT_DEFINED_
75 #define KIM_CHARGE_UNIT_DEFINED_
77 #endif
78 
79 #ifndef KIM_TEMPERATURE_UNIT_DEFINED_
80 #define KIM_TEMPERATURE_UNIT_DEFINED_
82 #endif
83 
84 #ifndef KIM_TIME_UNIT_DEFINED_
85 #define KIM_TIME_UNIT_DEFINED_
86 typedef struct KIM_TimeUnit KIM_TimeUnit;
87 #endif
88 
89 #ifndef KIM_SUPPORT_STATUS_DEFINED_
90 #define KIM_SUPPORT_STATUS_DEFINED_
92 #endif
93 
94 #ifndef KIM_ARGUMENT_NAME_DEFINED_
95 #define KIM_ARGUMENT_NAME_DEFINED_
97 #endif
98 
99 #ifndef KIM_CALLBACK_NAME_DEFINED_
100 #define KIM_CALLBACK_NAME_DEFINED_
102 #endif
103 
104 
105 struct KIM_ModelCreate;
106 
107 #ifndef KIM_MODEL_CREATE_DEFINED_
108 #define KIM_MODEL_CREATE_DEFINED_
110 #endif
111 
112 
114  KIM_ModelCreate * const modelCreate,
115  KIM_Numbering const numbering);
116 
118  KIM_ModelCreate * const modelCreate,
119  double * const influenceDistance);
120 
122  KIM_ModelCreate * const modelCreate,
123  int const numberOfCutoffs, double const * const cutoffs);
124 
126  KIM_ModelCreate * const modelCreate,
127  KIM_LanguageName const languageName, func * const fptr);
129  KIM_ModelCreate * const modelCreate,
130  KIM_LanguageName const languageName, func * const fptr);
132  KIM_ModelCreate * const modelCreate,
133  KIM_LanguageName const languageName, func * const fptr);
134 
136  KIM_ModelCreate * const modelCreate,
137  KIM_SpeciesName const speciesName, int const code);
138 
140  KIM_ModelCreate * const modelCreate,
141  KIM_ArgumentName const argumentName, KIM_SupportStatus const supportStatus);
142 
144  KIM_ModelCreate * const modelCreate,
145  KIM_CallbackName const callbackName, KIM_SupportStatus const supportStatus);
146 
148  KIM_ModelCreate * const modelCreate,
149  int const extent, int * const ptr, char const * const description);
150 
152  KIM_ModelCreate * const modelCreate,
153  int const extent, double * const ptr, char const * const description);
154 
156  KIM_ModelCreate * const modelCreate, void * const ptr);
157 
159  KIM_ModelCreate * const modelCreate,
160  KIM_LengthUnit const lengthUnit,
161  KIM_EnergyUnit const energyUnit,
162  KIM_ChargeUnit const chargeUnit,
163  KIM_TemperatureUnit const temperatureUnit,
164  KIM_TimeUnit const timeUnit);
165 
167  KIM_ModelCreate const * const modelCreate,
168  KIM_LengthUnit const fromLengthUnit,
169  KIM_EnergyUnit const fromEnergyUnit,
170  KIM_ChargeUnit const fromChargeUnit,
171  KIM_TemperatureUnit const fromTemperatureUnit,
172  KIM_TimeUnit const fromTimeUnit,
173  KIM_LengthUnit const toLengthUnit,
174  KIM_EnergyUnit const toEnergyUnit,
175  KIM_ChargeUnit const toChargeUnit,
176  KIM_TemperatureUnit const toTemperatureUnit,
177  KIM_TimeUnit const toTimeUnit,
178  double const lengthExponent,
179  double const energyExponent,
180  double const chargeExponent,
181  double const temperatureExponent,
182  double const timeExponent,
183  double * const conversionFactor);
184 
186  KIM_ModelCreate const * const modelCreate,
187  KIM_LogVerbosity const logVerbosity, char const * const message,
188  int const lineNumber, char const * const fileName);
189 
190 char const * const KIM_ModelCreate_String(
191  KIM_ModelCreate const * const modelCreate);
192 
193 #endif /* KIM_MODEL_CREATE_H_ */
void KIM_ModelCreate_LogEntry(KIM_ModelCreate const *const modelCreate, KIM_LogVerbosity const logVerbosity, char const *const message, int const lineNumber, char const *const fileName)
int KIM_ModelCreate_ConvertUnit(KIM_ModelCreate const *const modelCreate, 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_ModelCreate_SetComputePointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
void KIM_ModelCreate_SetNeighborListCutoffsPointer(KIM_ModelCreate *const modelCreate, int const numberOfCutoffs, double const *const cutoffs)
char const *const KIM_ModelCreate_String(KIM_ModelCreate const *const modelCreate)
void KIM_ModelCreate_SetModelBufferPointer(KIM_ModelCreate *const modelCreate, void *const ptr)
int KIM_ModelCreate_SetRefreshPointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
void() func()
Definition: KIM_func.h:39
int KIM_ModelCreate_SetParameterPointerInteger(KIM_ModelCreate *const modelCreate, int const extent, int *const ptr, char const *const description)
int KIM_ModelCreate_SetDestroyPointer(KIM_ModelCreate *const modelCreate, KIM_LanguageName const languageName, func *const fptr)
void KIM_ModelCreate_SetInfluenceDistancePointer(KIM_ModelCreate *const modelCreate, double *const influenceDistance)
int KIM_ModelCreate_SetUnits(KIM_ModelCreate *const modelCreate, KIM_LengthUnit const lengthUnit, KIM_EnergyUnit const energyUnit, KIM_ChargeUnit const chargeUnit, KIM_TemperatureUnit const temperatureUnit, KIM_TimeUnit const timeUnit)
int KIM_ModelCreate_SetModelNumbering(KIM_ModelCreate *const modelCreate, KIM_Numbering const numbering)
int KIM_ModelCreate_SetParameterPointerDouble(KIM_ModelCreate *const modelCreate, int const extent, double *const ptr, char const *const description)
int KIM_ModelCreate_SetArgumentSupportStatus(KIM_ModelCreate *const modelCreate, KIM_ArgumentName const argumentName, KIM_SupportStatus const supportStatus)
int KIM_ModelCreate_SetSpeciesCode(KIM_ModelCreate *const modelCreate, KIM_SpeciesName const speciesName, int const code)
struct KIM_ModelCreate KIM_ModelCreate
int KIM_ModelCreate_SetCallbackSupportStatus(KIM_ModelCreate *const modelCreate, KIM_CallbackName const callbackName, KIM_SupportStatus const supportStatus)