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_pointers, &
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 &
66 
67  interface operator (.eq.)
68  logical function kim_model_create_handle_equal(left, right)
69  use, intrinsic :: iso_c_binding
70  import kim_model_create_handle_type
71  implicit none
72  type(kim_model_create_handle_type), intent(in) :: left
73  type(kim_model_create_handle_type), intent(in) :: right
74  end function kim_model_create_handle_equal
75  end interface operator (.eq.)
76 
77  interface operator (.ne.)
78  logical function kim_model_create_handle_not_equal(left, right)
79  use, intrinsic :: iso_c_binding
80  import kim_model_create_handle_type
81  implicit none
82  type(kim_model_create_handle_type), intent(in) :: left
83  type(kim_model_create_handle_type), intent(in) :: right
84  end function kim_model_create_handle_not_equal
85  end interface operator (.ne.)
86 
87  interface kim_model_create_set_parameter_pointer
88  subroutine kim_model_create_set_parameter_pointer_integer( &
89  model_create_handle, int1, description, ierr)
90  use, intrinsic :: iso_c_binding
91  import kim_model_create_handle_type
92  implicit none
93  type(kim_model_create_handle_type), intent(in) :: model_create_handle
94  integer(c_int), intent(in), target :: int1(:)
95  character(len=*, kind=c_char), intent(in) :: description
96  integer(c_int), intent(out) :: ierr
97  end subroutine kim_model_create_set_parameter_pointer_integer
98 
99  subroutine kim_model_create_set_parameter_pointer_double( &
100  model_create_handle, double1, description, ierr)
101  use, intrinsic :: iso_c_binding
102  import kim_model_create_handle_type
103  implicit none
104  type(kim_model_create_handle_type), intent(in) :: model_create_handle
105  real(c_double), intent(in), target :: double1(:)
106  character(len=*, kind=c_char), intent(in) :: description
107  integer(c_int), intent(out) :: ierr
108  end subroutine kim_model_create_set_parameter_pointer_double
109  end interface kim_model_create_set_parameter_pointer
110 
111  interface
112  subroutine kim_model_create_set_model_numbering( &
113  model_create_handle, numbering, ierr)
114  use, intrinsic :: iso_c_binding
115  use kim_numbering_module, only : kim_numbering_type
116  import kim_model_create_handle_type
117  implicit none
118  type(kim_model_create_handle_type), intent(in) :: model_create_handle
119  type(kim_numbering_type), intent(in), value :: numbering
120  integer(c_int), intent(out) :: ierr
121  end subroutine kim_model_create_set_model_numbering
122 
124  model_create_handle, influence_distance)
125  use, intrinsic :: iso_c_binding
126  import kim_model_create_handle_type
127  implicit none
128  type(kim_model_create_handle_type), intent(in) :: model_create_handle
129  real(c_double), intent(in), target :: influence_distance
131 
132  subroutine kim_model_create_set_neighbor_list_pointers( &
133  model_create_handle, number_of_neighbor_lists, cutoffs, &
134  padding_neighbor_hints, half_list_hints)
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_neighbor_lists
140  real(c_double), intent(in), target :: cutoffs(number_of_neighbor_lists)
141  integer(c_int), intent(in), target :: &
142  padding_neighbor_hints(number_of_neighbor_lists)
143  integer(c_int), intent(in), target :: &
144  half_list_hints(number_of_neighbor_lists)
145  end subroutine kim_model_create_set_neighbor_list_pointers
146 
147  subroutine kim_model_create_set_refresh_pointer( &
148  model_create_handle, language_name, fptr, ierr)
149  use, intrinsic :: iso_c_binding
150  use kim_language_name_module, only : kim_language_name_type
151  import kim_model_create_handle_type
152  implicit none
153  type(kim_model_create_handle_type), intent(in) :: model_create_handle
154  type(kim_language_name_type), intent(in), value :: language_name
155  type(c_funptr), intent(in), value :: fptr
156  integer(c_int), intent(out) :: ierr
157  end subroutine kim_model_create_set_refresh_pointer
158 
160  model_create_handle, language_name, fptr, ierr)
161  use, intrinsic :: iso_c_binding
162  use kim_language_name_module, only : kim_language_name_type
163  import kim_model_create_handle_type
164  implicit none
165  type(kim_model_create_handle_type), intent(in) :: model_create_handle
166  type(kim_language_name_type), intent(in), value :: language_name
167  type(c_funptr), intent(in), value :: fptr
168  integer(c_int), intent(out) :: ierr
170 
172  model_create_handle, language_name, fptr, ierr)
173  use, intrinsic :: iso_c_binding
174  use kim_language_name_module, only : kim_language_name_type
175  import kim_model_create_handle_type
176  implicit none
177  type(kim_model_create_handle_type), intent(in) :: model_create_handle
178  type(kim_language_name_type), intent(in), value :: language_name
179  type(c_funptr), intent(in), value :: fptr
180  integer(c_int), intent(out) :: ierr
182 
184  model_create_handle, language_name, fptr, ierr)
185  use, intrinsic :: iso_c_binding
186  use kim_language_name_module, only : kim_language_name_type
187  import kim_model_create_handle_type
188  implicit none
189  type(kim_model_create_handle_type), intent(in) :: model_create_handle
190  type(kim_language_name_type), intent(in), value :: language_name
191  type(c_funptr), intent(in), value :: fptr
192  integer(c_int), intent(out) :: ierr
194 
196  model_create_handle, language_name, fptr, ierr)
197  use, intrinsic :: iso_c_binding
198  use kim_language_name_module, only : kim_language_name_type
199  import kim_model_create_handle_type
200  implicit none
201  type(kim_model_create_handle_type), intent(in) :: model_create_handle
202  type(kim_language_name_type), intent(in), value :: language_name
203  type(c_funptr), intent(in), value :: fptr
204  integer(c_int), intent(out) :: ierr
206 
207  subroutine kim_model_create_set_species_code(model_create_handle, &
208  species_name, code, ierr)
209  use, intrinsic :: iso_c_binding
210  use kim_species_name_module, only : kim_species_name_type
211  import kim_model_create_handle_type
212  implicit none
213  type(kim_model_create_handle_type), intent(in) :: model_create_handle
214  type(kim_species_name_type), intent(in), value :: species_name
215  integer(c_int), intent(in), value :: code
216  integer(c_int), intent(out) :: ierr
217  end subroutine kim_model_create_set_species_code
218 
220  model_create_handle, ptr)
221  use, intrinsic :: iso_c_binding
222  import kim_model_create_handle_type
223  implicit none
224  type(kim_model_create_handle_type), intent(in) :: model_create_handle
225  type(c_ptr), intent(in), value :: ptr
227 
228  subroutine kim_model_create_set_units(model_create_handle, &
229  length_unit, energy_unit, charge_unit, temperature_unit, time_unit, ierr)
230  use, intrinsic :: iso_c_binding
231  use kim_unit_system_module, only : &
232  kim_length_unit_type, &
233  kim_energy_unit_type, &
234  kim_charge_unit_type, &
235  kim_temperature_unit_type, &
236  kim_time_unit_type
237  import kim_model_create_handle_type
238  implicit none
239  type(kim_model_create_handle_type), intent(in) :: model_create_handle
240  type(kim_length_unit_type), intent(in), value :: length_unit
241  type(kim_energy_unit_type), intent(in), value :: energy_unit
242  type(kim_charge_unit_type), intent(in), value :: charge_unit
243  type(kim_temperature_unit_type), intent(in), value :: temperature_unit
244  type(kim_time_unit_type), intent(in), value :: time_unit
245  integer(c_int), intent(out) :: ierr
246  end subroutine kim_model_create_set_units
247 
249  model_create_handle, from_length_unit, from_energy_unit, &
250  from_charge_unit, from_temperature_unit, from_time_unit, &
251  to_length_unit, to_energy_unit, to_charge_unit, to_temperature_unit, &
252  to_time_unit, length_exponent, energy_exponent, charge_exponent, &
253  temperature_exponent, time_exponent, conversion_factor, ierr)
254  use, intrinsic :: iso_c_binding
255  use kim_unit_system_module, only : kim_length_unit_type
256  use kim_unit_system_module, only : kim_energy_unit_type
257  use kim_unit_system_module, only : kim_charge_unit_type
258  use kim_unit_system_module, only : kim_temperature_unit_type
259  use kim_unit_system_module, only : kim_time_unit_type
260  import kim_model_create_handle_type
261  implicit none
262  type(kim_model_create_handle_type), intent(in) :: model_create_handle
263  type(kim_length_unit_type), intent(in), value :: from_length_unit
264  type(kim_energy_unit_type), intent(in), value :: from_energy_unit
265  type(kim_charge_unit_type), intent(in), value :: from_charge_unit
266  type(kim_temperature_unit_type), intent(in), value :: &
267  from_temperature_unit
268  type(kim_time_unit_type), intent(in), value :: from_time_unit
269  type(kim_length_unit_type), intent(in), value :: to_length_unit
270  type(kim_energy_unit_type), intent(in), value :: to_energy_unit
271  type(kim_charge_unit_type), intent(in), value :: to_charge_unit
272  type(kim_temperature_unit_type), intent(in), value :: &
273  to_temperature_unit
274  type(kim_time_unit_type), intent(in), value :: to_time_unit
275  real(c_double), intent(in), value :: length_exponent
276  real(c_double), intent(in), value :: energy_exponent
277  real(c_double), intent(in), value :: charge_exponent
278  real(c_double), intent(in), value :: temperature_exponent
279  real(c_double), intent(in), value :: time_exponent
280  real(c_double), intent(out) :: conversion_factor
281  integer(c_int), intent(out) :: ierr
282  end subroutine kim_model_create_convert_unit
283 
284  subroutine kim_model_create_log_entry(model_create_handle, &
285  log_verbosity, message, line_number, file_name)
286  use, intrinsic :: iso_c_binding
287  use kim_log_verbosity_module, only : kim_log_verbosity_type
288  import kim_model_create_handle_type
289  implicit none
290  type(kim_model_create_handle_type), intent(in) :: model_create_handle
291  type(kim_log_verbosity_type), intent(in), value :: log_verbosity
292  character(len=*, kind=c_char), intent(in) :: message
293  integer(c_int), intent(in), value :: line_number
294  character(len=*, kind=c_char), intent(in) :: file_name
295  end subroutine kim_model_create_log_entry
296 
297  subroutine kim_model_create_string(model_create_handle, string)
298  use, intrinsic :: iso_c_binding
299  import kim_model_create_handle_type
300  implicit none
301  type(kim_model_create_handle_type), intent(in) :: model_create_handle
302  character(len=*, kind=c_char), intent(out) :: string
303  end subroutine kim_model_create_string
304  end interface
305 end module kim_model_create_module
type(kim_model_create_handle_type), public, protected kim_model_create_null_handle