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 &
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_cutoffs_pointer( &
133  model_create_handle, number_of_cutoffs, cutoffs)
134  use, intrinsic :: iso_c_binding
135  import kim_model_create_handle_type
136  implicit none
137  type(kim_model_create_handle_type), intent(in) :: model_create_handle
138  integer(c_int), intent(in), value :: number_of_cutoffs
139  real(c_double), intent(in), target :: cutoffs(number_of_cutoffs)
140  end subroutine kim_model_create_set_neighbor_list_cutoffs_pointer
141 
142  subroutine kim_model_create_set_refresh_pointer( &
143  model_create_handle, language_name, fptr, ierr)
144  use, intrinsic :: iso_c_binding
145  use kim_language_name_module, only : kim_language_name_type
146  import kim_model_create_handle_type
147  implicit none
148  type(kim_model_create_handle_type), intent(in) :: model_create_handle
149  type(kim_language_name_type), intent(in), value :: language_name
150  type(c_funptr), intent(in), value :: fptr
151  integer(c_int), intent(out) :: ierr
152  end subroutine kim_model_create_set_refresh_pointer
153 
155  model_create_handle, language_name, fptr, ierr)
156  use, intrinsic :: iso_c_binding
157  use kim_language_name_module, only : kim_language_name_type
158  import kim_model_create_handle_type
159  implicit none
160  type(kim_model_create_handle_type), intent(in) :: model_create_handle
161  type(kim_language_name_type), intent(in), value :: language_name
162  type(c_funptr), intent(in), value :: fptr
163  integer(c_int), intent(out) :: ierr
165 
167  model_create_handle, language_name, fptr, ierr)
168  use, intrinsic :: iso_c_binding
169  use kim_language_name_module, only : kim_language_name_type
170  import kim_model_create_handle_type
171  implicit none
172  type(kim_model_create_handle_type), intent(in) :: model_create_handle
173  type(kim_language_name_type), intent(in), value :: language_name
174  type(c_funptr), intent(in), value :: fptr
175  integer(c_int), intent(out) :: ierr
177 
179  model_create_handle, language_name, fptr, ierr)
180  use, intrinsic :: iso_c_binding
181  use kim_language_name_module, only : kim_language_name_type
182  import kim_model_create_handle_type
183  implicit none
184  type(kim_model_create_handle_type), intent(in) :: model_create_handle
185  type(kim_language_name_type), intent(in), value :: language_name
186  type(c_funptr), intent(in), value :: fptr
187  integer(c_int), intent(out) :: ierr
189 
191  model_create_handle, language_name, fptr, ierr)
192  use, intrinsic :: iso_c_binding
193  use kim_language_name_module, only : kim_language_name_type
194  import kim_model_create_handle_type
195  implicit none
196  type(kim_model_create_handle_type), intent(in) :: model_create_handle
197  type(kim_language_name_type), intent(in), value :: language_name
198  type(c_funptr), intent(in), value :: fptr
199  integer(c_int), intent(out) :: ierr
201 
202  subroutine kim_model_create_set_species_code(model_create_handle, &
203  species_name, code, ierr)
204  use, intrinsic :: iso_c_binding
205  use kim_species_name_module, only : kim_species_name_type
206  import kim_model_create_handle_type
207  implicit none
208  type(kim_model_create_handle_type), intent(in) :: model_create_handle
209  type(kim_species_name_type), intent(in), value :: species_name
210  integer(c_int), intent(in), value :: code
211  integer(c_int), intent(out) :: ierr
212  end subroutine kim_model_create_set_species_code
213 
215  model_create_handle, ptr)
216  use, intrinsic :: iso_c_binding
217  import kim_model_create_handle_type
218  implicit none
219  type(kim_model_create_handle_type), intent(in) :: model_create_handle
220  type(c_ptr), intent(in), value :: ptr
222 
223  subroutine kim_model_create_set_units(model_create_handle, &
224  length_unit, energy_unit, charge_unit, temperature_unit, time_unit, ierr)
225  use, intrinsic :: iso_c_binding
226  use kim_unit_system_module, only : &
227  kim_length_unit_type, &
228  kim_energy_unit_type, &
229  kim_charge_unit_type, &
230  kim_temperature_unit_type, &
231  kim_time_unit_type
232  import kim_model_create_handle_type
233  implicit none
234  type(kim_model_create_handle_type), intent(in) :: model_create_handle
235  type(kim_length_unit_type), intent(in), value :: length_unit
236  type(kim_energy_unit_type), intent(in), value :: energy_unit
237  type(kim_charge_unit_type), intent(in), value :: charge_unit
238  type(kim_temperature_unit_type), intent(in), value :: temperature_unit
239  type(kim_time_unit_type), intent(in), value :: time_unit
240  integer(c_int), intent(out) :: ierr
241  end subroutine kim_model_create_set_units
242 
244  model_create_handle, from_length_unit, from_energy_unit, &
245  from_charge_unit, from_temperature_unit, from_time_unit, &
246  to_length_unit, to_energy_unit, to_charge_unit, to_temperature_unit, &
247  to_time_unit, length_exponent, energy_exponent, charge_exponent, &
248  temperature_exponent, time_exponent, conversion_factor, ierr)
249  use, intrinsic :: iso_c_binding
250  use kim_unit_system_module, only : kim_length_unit_type
251  use kim_unit_system_module, only : kim_energy_unit_type
252  use kim_unit_system_module, only : kim_charge_unit_type
253  use kim_unit_system_module, only : kim_temperature_unit_type
254  use kim_unit_system_module, only : kim_time_unit_type
255  import kim_model_create_handle_type
256  implicit none
257  type(kim_model_create_handle_type), intent(in) :: model_create_handle
258  type(kim_length_unit_type), intent(in), value :: from_length_unit
259  type(kim_energy_unit_type), intent(in), value :: from_energy_unit
260  type(kim_charge_unit_type), intent(in), value :: from_charge_unit
261  type(kim_temperature_unit_type), intent(in), value :: &
262  from_temperature_unit
263  type(kim_time_unit_type), intent(in), value :: from_time_unit
264  type(kim_length_unit_type), intent(in), value :: to_length_unit
265  type(kim_energy_unit_type), intent(in), value :: to_energy_unit
266  type(kim_charge_unit_type), intent(in), value :: to_charge_unit
267  type(kim_temperature_unit_type), intent(in), value :: &
268  to_temperature_unit
269  type(kim_time_unit_type), intent(in), value :: to_time_unit
270  real(c_double), intent(in), value :: length_exponent
271  real(c_double), intent(in), value :: energy_exponent
272  real(c_double), intent(in), value :: charge_exponent
273  real(c_double), intent(in), value :: temperature_exponent
274  real(c_double), intent(in), value :: time_exponent
275  real(c_double), intent(out) :: conversion_factor
276  integer(c_int), intent(out) :: ierr
277  end subroutine kim_model_create_convert_unit
278 
279  subroutine kim_model_create_log_entry(model_create_handle, &
280  log_verbosity, message, line_number, file_name)
281  use, intrinsic :: iso_c_binding
282  use kim_log_verbosity_module, only : kim_log_verbosity_type
283  import kim_model_create_handle_type
284  implicit none
285  type(kim_model_create_handle_type), intent(in) :: model_create_handle
286  type(kim_log_verbosity_type), intent(in), value :: log_verbosity
287  character(len=*, kind=c_char), intent(in) :: message
288  integer(c_int), intent(in), value :: line_number
289  character(len=*, kind=c_char), intent(in) :: file_name
290  end subroutine kim_model_create_log_entry
291 
292  subroutine kim_model_create_string(model_create_handle, string)
293  use, intrinsic :: iso_c_binding
294  import kim_model_create_handle_type
295  implicit none
296  type(kim_model_create_handle_type), intent(in) :: model_create_handle
297  character(len=*, kind=c_char), intent(out) :: string
298  end subroutine kim_model_create_string
299  end interface
300 end module kim_model_create_module
type(kim_model_create_handle_type), public, protected kim_model_create_null_handle