KIM API V2
kim_model_create_module.f90
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32 
33 
35  use, intrinsic :: iso_c_binding
36  implicit none
37  private
38 
39  public &
40  kim_model_create_handle_type, &
42  operator (.eq.), &
43  operator (.ne.), &
44  kim_model_create_set_model_numbering, &
46  kim_model_create_set_neighbor_list_cutoffs_pointer, &
47  kim_model_create_set_refresh_pointer, &
53  kim_model_create_set_parameter_pointer, &
55  kim_model_create_set_units, &
59 
60  type, bind(c) :: kim_model_create_handle_type
61  type(c_ptr) :: p = c_null_ptr
62  end type kim_model_create_handle_type
63 
64  type(kim_model_create_handle_type), protected, &
65  bind(c,name="KIM_MODEL_CREATE_null_handle") &
67 
68  interface operator (.eq.)
69  logical function kim_model_create_handle_equal(left, right)
70  use, intrinsic :: iso_c_binding
71  import kim_model_create_handle_type
72  implicit none
73  type(kim_model_create_handle_type), intent(in) :: left
74  type(kim_model_create_handle_type), intent(in) :: right
75  end function kim_model_create_handle_equal
76  end interface operator (.eq.)
77 
78  interface operator (.ne.)
79  logical function kim_model_create_handle_not_equal(left, right)
80  use, intrinsic :: iso_c_binding
81  import kim_model_create_handle_type
82  implicit none
83  type(kim_model_create_handle_type), intent(in) :: left
84  type(kim_model_create_handle_type), intent(in) :: right
85  end function kim_model_create_handle_not_equal
86  end interface operator (.ne.)
87 
88  interface kim_model_create_set_parameter_pointer
89  subroutine kim_model_create_set_parameter_pointer_integer( &
90  model_create_handle, int1, description, ierr)
91  use, intrinsic :: iso_c_binding
92  import kim_model_create_handle_type
93  implicit none
94  type(kim_model_create_handle_type), intent(in) :: model_create_handle
95  integer(c_int), intent(in), target :: int1(:)
96  character(len=*), intent(in) :: description
97  integer(c_int), intent(out) :: ierr
98  end subroutine kim_model_create_set_parameter_pointer_integer
99 
100  subroutine kim_model_create_set_parameter_pointer_double( &
101  model_create_handle, double1, description, ierr)
102  use, intrinsic :: iso_c_binding
103  import kim_model_create_handle_type
104  implicit none
105  type(kim_model_create_handle_type), intent(in) :: model_create_handle
106  real(c_double), intent(in), target :: double1(:)
107  character(len=*), intent(in) :: description
108  integer(c_int), intent(out) :: ierr
109  end subroutine kim_model_create_set_parameter_pointer_double
110  end interface kim_model_create_set_parameter_pointer
111 
112  interface
113  subroutine kim_model_create_set_model_numbering( &
114  model_create_handle, numbering, ierr)
115  use, intrinsic :: iso_c_binding
116  use kim_numbering_module, only : kim_numbering_type
117  import kim_model_create_handle_type
118  implicit none
119  type(kim_model_create_handle_type), intent(in) :: model_create_handle
120  type(kim_numbering_type), intent(in), value :: numbering
121  integer(c_int), intent(out) :: ierr
122  end subroutine kim_model_create_set_model_numbering
123 
125  model_create_handle, influence_distance)
126  use, intrinsic :: iso_c_binding
127  import kim_model_create_handle_type
128  implicit none
129  type(kim_model_create_handle_type), intent(in) :: model_create_handle
130  real(c_double), intent(in), target :: influence_distance
132 
133  subroutine kim_model_create_set_neighbor_list_cutoffs_pointer( &
134  model_create_handle, number_of_cutoffs, cutoffs)
135  use, intrinsic :: iso_c_binding
136  import kim_model_create_handle_type
137  implicit none
138  type(kim_model_create_handle_type), intent(in) :: model_create_handle
139  integer(c_int), intent(in), value :: number_of_cutoffs
140  real(c_double), intent(in), target :: cutoffs(number_of_cutoffs)
141  end subroutine kim_model_create_set_neighbor_list_cutoffs_pointer
142 
143  subroutine kim_model_create_set_refresh_pointer( &
144  model_create_handle, language_name, fptr, ierr)
145  use, intrinsic :: iso_c_binding
146  use kim_language_name_module, only : kim_language_name_type
147  import kim_model_create_handle_type
148  implicit none
149  type(kim_model_create_handle_type), intent(in) :: model_create_handle
150  type(kim_language_name_type), intent(in), value :: language_name
151  type(c_funptr), intent(in), value :: fptr
152  integer(c_int), intent(out) :: ierr
153  end subroutine kim_model_create_set_refresh_pointer
154 
156  model_create_handle, language_name, fptr, ierr)
157  use, intrinsic :: iso_c_binding
158  use kim_language_name_module, only : kim_language_name_type
159  import kim_model_create_handle_type
160  implicit none
161  type(kim_model_create_handle_type), intent(in) :: model_create_handle
162  type(kim_language_name_type), intent(in), value :: language_name
163  type(c_funptr), intent(in), value :: fptr
164  integer(c_int), intent(out) :: ierr
166 
168  model_create_handle, language_name, fptr, ierr)
169  use, intrinsic :: iso_c_binding
170  use kim_language_name_module, only : kim_language_name_type
171  import kim_model_create_handle_type
172  implicit none
173  type(kim_model_create_handle_type), intent(in) :: model_create_handle
174  type(kim_language_name_type), intent(in), value :: language_name
175  type(c_funptr), intent(in), value :: fptr
176  integer(c_int), intent(out) :: ierr
178 
179  subroutine kim_model_create_set_species_code(model_create_handle, &
180  species_name, code, ierr)
181  use, intrinsic :: iso_c_binding
182  use kim_species_name_module, only : kim_species_name_type
183  import kim_model_create_handle_type
184  implicit none
185  type(kim_model_create_handle_type), intent(in) :: model_create_handle
186  type(kim_species_name_type), intent(in), value :: species_name
187  integer(c_int), intent(in), value :: code
188  integer(c_int), intent(out) :: ierr
189  end subroutine kim_model_create_set_species_code
190 
192  model_create_handle, argument_name, support_status, ierr)
193  use, intrinsic :: iso_c_binding
194  use kim_argument_name_module, only : kim_argument_name_type
195  use kim_support_status_module, only : kim_support_status_type
196  import kim_model_create_handle_type
197  implicit none
198  type(kim_model_create_handle_type), intent(in) :: model_create_handle
199  type(kim_argument_name_type), intent(in), value :: argument_name
200  type(kim_support_status_type), intent(in), value :: support_status
201  integer(c_int), intent(out) :: ierr
203 
205  model_create_handle, callback_name, support_status, ierr)
206  use, intrinsic :: iso_c_binding
207  use kim_callback_name_module, only : kim_callback_name_type
208  use kim_support_status_module, only : kim_support_status_type
209  import kim_model_create_handle_type
210  implicit none
211  type(kim_model_create_handle_type), intent(in) :: model_create_handle
212  type(kim_callback_name_type), intent(in), value :: callback_name
213  type(kim_support_status_type), intent(in), value :: support_status
214  integer(c_int), intent(out) :: ierr
216 
218  model_create_handle, ptr)
219  use, intrinsic :: iso_c_binding
220  import kim_model_create_handle_type
221  implicit none
222  type(kim_model_create_handle_type), intent(in) :: model_create_handle
223  type(c_ptr), intent(in), value :: ptr
225 
226  subroutine kim_model_create_set_units(model_create_handle, &
227  length_unit, energy_unit, charge_unit, temperature_unit, time_unit, ierr)
228  use, intrinsic :: iso_c_binding
229  use kim_unit_system_module, only : &
230  kim_length_unit_type, &
231  kim_energy_unit_type, &
232  kim_charge_unit_type, &
233  kim_temperature_unit_type, &
234  kim_time_unit_type
235  import kim_model_create_handle_type
236  implicit none
237  type(kim_model_create_handle_type), intent(in) :: model_create_handle
238  type(kim_length_unit_type), intent(in), value :: length_unit
239  type(kim_energy_unit_type), intent(in), value :: energy_unit
240  type(kim_charge_unit_type), intent(in), value :: charge_unit
241  type(kim_temperature_unit_type), intent(in), value :: temperature_unit
242  type(kim_time_unit_type), intent(in), value :: time_unit
243  integer(c_int), intent(out) :: ierr
244  end subroutine kim_model_create_set_units
245 
247  model_create_handle, from_length_unit, from_energy_unit, &
248  from_charge_unit, from_temperature_unit, from_time_unit, &
249  to_length_unit, to_energy_unit, to_charge_unit, to_temperature_unit, &
250  to_time_unit, length_exponent, energy_exponent, charge_exponent, &
251  temperature_exponent, time_exponent, conversion_factor, ierr)
252  use, intrinsic :: iso_c_binding
253  use kim_unit_system_module, only : kim_length_unit_type
254  use kim_unit_system_module, only : kim_energy_unit_type
255  use kim_unit_system_module, only : kim_charge_unit_type
256  use kim_unit_system_module, only : kim_temperature_unit_type
257  use kim_unit_system_module, only : kim_time_unit_type
258  import kim_model_create_handle_type
259  implicit none
260  type(kim_model_create_handle_type), intent(in) :: model_create_handle
261  type(kim_length_unit_type), intent(in), value :: from_length_unit
262  type(kim_energy_unit_type), intent(in), value :: from_energy_unit
263  type(kim_charge_unit_type), intent(in), value :: from_charge_unit
264  type(kim_temperature_unit_type), intent(in), value :: &
265  from_temperature_unit
266  type(kim_time_unit_type), intent(in), value :: from_time_unit
267  type(kim_length_unit_type), intent(in), value :: to_length_unit
268  type(kim_energy_unit_type), intent(in), value :: to_energy_unit
269  type(kim_charge_unit_type), intent(in), value :: to_charge_unit
270  type(kim_temperature_unit_type), intent(in), value :: &
271  to_temperature_unit
272  type(kim_time_unit_type), intent(in), value :: to_time_unit
273  real(c_double), intent(in), value :: length_exponent
274  real(c_double), intent(in), value :: energy_exponent
275  real(c_double), intent(in), value :: charge_exponent
276  real(c_double), intent(in), value :: temperature_exponent
277  real(c_double), intent(in), value :: time_exponent
278  real(c_double), intent(out) :: conversion_factor
279  integer(c_int), intent(out) :: ierr
280  end subroutine kim_model_create_convert_unit
281 
282  subroutine kim_model_create_log_entry(model_create_handle, &
283  log_verbosity, message, line_number, file_name)
284  use, intrinsic :: iso_c_binding
285  use kim_log_verbosity_module, only : kim_log_verbosity_type
286  import kim_model_create_handle_type
287  implicit none
288  type(kim_model_create_handle_type), intent(in) :: model_create_handle
289  type(kim_log_verbosity_type), intent(in), value :: log_verbosity
290  character(len=*), intent(in) :: message
291  integer(c_int), intent(in), value :: line_number
292  character(len=*), intent(in) :: file_name
293  end subroutine kim_model_create_log_entry
294 
295  subroutine kim_model_create_string(model_create_handle, string)
296  use, intrinsic :: iso_c_binding
297  import kim_model_create_handle_type
298  implicit none
299  type(kim_model_create_handle_type), intent(in) :: model_create_handle
300  character(len=*), intent(out) :: string
301  end subroutine kim_model_create_string
302  end interface
303 end module kim_model_create_module
type(kim_model_create_handle_type), public, protected kim_model_create_null_handle