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|
!
! CDDL HEADER START
!
! The contents of this file are subject to the terms of the Common Development
! and Distribution License Version 1.0 (the "License").
!
! You can obtain a copy of the license at
! http://www.opensource.org/licenses/CDDL-1.0. See the License for the
! specific language governing permissions and limitations under the License.
!
! When distributing Covered Code, include this CDDL HEADER in each file and
! include the License file in a prominent location with the name LICENSE.CDDL.
! If applicable, add the following below this CDDL HEADER, with the fields
! enclosed by brackets "[]" replaced with your own identifying information:
!
! Portions Copyright (c) [yyyy] [name of copyright owner]. All rights reserved.
!
! CDDL HEADER END
!
!
! Copyright (c) 2016--2018, Regents of the University of Minnesota.
! All rights reserved.
!
! Contributors:
! Ryan S. Elliott
!
!
! Release: This file is part of the kim-api.git repository.
!
module kim_model_driver_create_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
kim_model_driver_create_handle_type, &
kim_model_driver_create_null_handle, &
operator (.eq.), &
operator (.ne.), &
kim_model_driver_create_get_number_of_parameter_files, &
kim_model_driver_create_get_parameter_file_name, &
kim_model_driver_create_set_model_numbering, &
kim_model_driver_create_set_influence_distance_pointer, &
kim_model_driver_create_set_neighbor_list_pointers, &
kim_model_driver_create_set_refresh_pointer, &
kim_model_driver_create_set_destroy_pointer, &
kim_model_driver_create_set_compute_arguments_create_pointer, &
kim_model_driver_create_set_compute_arguments_destroy_pointer, &
kim_model_driver_create_set_compute_pointer, &
kim_model_driver_create_set_species_code, &
kim_model_driver_create_set_parameter_pointer, &
kim_model_driver_create_set_model_buffer_pointer, &
kim_model_driver_create_set_units, &
kim_model_driver_create_convert_unit, &
kim_model_driver_create_log_entry, &
kim_model_driver_create_string
type, bind(c) :: kim_model_driver_create_handle_type
type(c_ptr) :: p = c_null_ptr
end type kim_model_driver_create_handle_type
type(kim_model_driver_create_handle_type), protected, save &
:: kim_model_driver_create_null_handle
interface operator (.eq.)
logical function kim_model_driver_create_handle_equal(left, right)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) :: left
type(kim_model_driver_create_handle_type), intent(in) :: right
end function kim_model_driver_create_handle_equal
end interface operator (.eq.)
interface operator (.ne.)
logical function kim_model_driver_createhandle_not_equal(left, right)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) :: left
type(kim_model_driver_create_handle_type), intent(in) :: right
end function kim_model_driver_createhandle_not_equal
end interface operator (.ne.)
interface kim_model_driver_create_set_parameter_pointer
subroutine kim_model_driver_create_set_parameter_pointer_integer( &
model_driver_create_handle, int1, description, ierr)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
integer(c_int), intent(in), target :: int1(:)
character(len=*, kind=c_char), intent(in) :: description
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_parameter_pointer_integer
subroutine kim_model_driver_create_set_parameter_pointer_double( &
model_driver_create_handle, double1, description, ierr)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
real(c_double), intent(in), target :: double1(:)
character(len=*, kind=c_char), intent(in) :: description
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_parameter_pointer_double
end interface kim_model_driver_create_set_parameter_pointer
interface
subroutine kim_model_driver_create_get_number_of_parameter_files( &
model_driver_create_handle, number_of_parameter_files)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
integer(c_int), intent(out) :: number_of_parameter_files
end subroutine kim_model_driver_create_get_number_of_parameter_files
subroutine kim_model_driver_create_get_parameter_file_name( &
model_driver_create_handle, index, parameter_file_name, ierr)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
integer(c_int), intent(in), value :: index
character(len=*, kind=c_char), intent(out) :: parameter_file_name
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_get_parameter_file_name
subroutine kim_model_driver_create_set_model_numbering( &
model_driver_create_handle, numbering, ierr)
use, intrinsic :: iso_c_binding
use kim_numbering_module, only : kim_numbering_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_numbering_type), intent(in), value :: numbering
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_model_numbering
subroutine kim_model_driver_create_set_influence_distance_pointer( &
model_driver_create_handle, influence_distance)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
real(c_double), intent(in), target :: influence_distance
end subroutine kim_model_driver_create_set_influence_distance_pointer
subroutine kim_model_driver_create_set_neighbor_list_pointers( &
model_driver_create_handle, number_of_neighbor_lists, cutoffs, &
model_will_not_request_neighbors_of_noncontributing_particles)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(inout) &
:: model_driver_create_handle
integer(c_int), intent(in), value :: number_of_neighbor_lists
real(c_double), intent(in), target :: cutoffs(number_of_neighbor_lists)
integer(c_int), intent(in), target :: &
model_will_not_request_neighbors_of_noncontributing_particles( &
number_of_neighbor_lists)
end subroutine kim_model_driver_create_set_neighbor_list_pointers
subroutine kim_model_driver_create_set_refresh_pointer( &
model_driver_create_handle, language_name, fptr, ierr)
use, intrinsic :: iso_c_binding
use kim_language_name_module, only : kim_language_name_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_language_name_type), intent(in), value :: language_name
type(c_funptr), intent(in), value :: fptr
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_refresh_pointer
subroutine kim_model_driver_create_set_destroy_pointer( &
model_driver_create_handle, language_name, fptr, ierr)
use, intrinsic :: iso_c_binding
use kim_language_name_module, only : kim_language_name_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_language_name_type), intent(in), value :: language_name
type(c_funptr), intent(in), value :: fptr
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_destroy_pointer
subroutine kim_model_driver_create_set_compute_arguments_create_pointer( &
model_driver_create_handle, language_name, fptr, ierr)
use, intrinsic :: iso_c_binding
use kim_language_name_module, only : kim_language_name_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_language_name_type), intent(in), value :: language_name
type(c_funptr), intent(in), value :: fptr
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_compute_arguments_create_pointer
subroutine kim_model_driver_create_set_compute_arguments_destroy_pointer( &
model_driver_create_handle, language_name, fptr, ierr)
use, intrinsic :: iso_c_binding
use kim_language_name_module, only : kim_language_name_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_language_name_type), intent(in), value :: language_name
type(c_funptr), intent(in), value :: fptr
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_compute_arguments_destroy_pointer
subroutine kim_model_driver_create_set_compute_pointer( &
model_driver_create_handle, language_name, fptr, ierr)
use, intrinsic :: iso_c_binding
use kim_language_name_module, only : kim_language_name_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_language_name_type), intent(in), value :: language_name
type(c_funptr), intent(in), value :: fptr
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_compute_pointer
subroutine kim_model_driver_create_set_species_code( &
model_driver_create_handle, species_name, code, ierr)
use, intrinsic :: iso_c_binding
use kim_species_name_module, only : kim_species_name_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_species_name_type), intent(in), value :: species_name
integer(c_int), intent(in), value :: code
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_species_code
subroutine kim_model_driver_create_set_model_buffer_pointer( &
model_driver_create_handle, ptr)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(c_ptr), intent(in), value :: ptr
end subroutine kim_model_driver_create_set_model_buffer_pointer
subroutine kim_model_driver_create_set_units( &
model_driver_create_handle, length_unit, energy_unit, charge_unit, &
temperature_unit, time_unit, ierr)
use, intrinsic :: iso_c_binding
use kim_unit_system_module, only : &
kim_length_unit_type, &
kim_energy_unit_type, &
kim_charge_unit_type, &
kim_temperature_unit_type, &
kim_time_unit_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_length_unit_type), intent(in), value :: length_unit
type(kim_energy_unit_type), intent(in), value :: energy_unit
type(kim_charge_unit_type), intent(in), value :: charge_unit
type(kim_temperature_unit_type), intent(in), value :: temperature_unit
type(kim_time_unit_type), intent(in), value :: time_unit
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_set_units
subroutine kim_model_driver_create_convert_unit( &
model_driver_create_handle, from_length_unit, from_energy_unit, &
from_charge_unit, from_temperature_unit, from_time_unit, &
to_length_unit, to_energy_unit, to_charge_unit, to_temperature_unit, &
to_time_unit, length_exponent, energy_exponent, charge_exponent, &
temperature_exponent, time_exponent, conversion_factor, ierr)
use, intrinsic :: iso_c_binding
use kim_unit_system_module, only : kim_length_unit_type
use kim_unit_system_module, only : kim_energy_unit_type
use kim_unit_system_module, only : kim_charge_unit_type
use kim_unit_system_module, only : kim_temperature_unit_type
use kim_unit_system_module, only : kim_time_unit_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_length_unit_type), intent(in), value :: from_length_unit
type(kim_energy_unit_type), intent(in), value :: from_energy_unit
type(kim_charge_unit_type), intent(in), value :: from_charge_unit
type(kim_temperature_unit_type), intent(in), value :: &
from_temperature_unit
type(kim_time_unit_type), intent(in), value :: from_time_unit
type(kim_length_unit_type), intent(in), value :: to_length_unit
type(kim_energy_unit_type), intent(in), value :: to_energy_unit
type(kim_charge_unit_type), intent(in), value :: to_charge_unit
type(kim_temperature_unit_type), intent(in), value :: &
to_temperature_unit
type(kim_time_unit_type), intent(in), value :: to_time_unit
real(c_double), intent(in), value :: length_exponent
real(c_double), intent(in), value :: energy_exponent
real(c_double), intent(in), value :: charge_exponent
real(c_double), intent(in), value :: temperature_exponent
real(c_double), intent(in), value :: time_exponent
real(c_double), intent(out) :: conversion_factor
integer(c_int), intent(out) :: ierr
end subroutine kim_model_driver_create_convert_unit
subroutine kim_model_driver_create_log_entry( &
model_driver_create_handle, log_verbosity, message, line_number, &
file_name)
use, intrinsic :: iso_c_binding
use kim_log_verbosity_module, only : kim_log_verbosity_type
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
type(kim_log_verbosity_type), intent(in), value :: log_verbosity
character(len=*, kind=c_char), intent(in) :: message
integer(c_int), intent(in), value :: line_number
character(len=*, kind=c_char), intent(in) :: file_name
end subroutine kim_model_driver_create_log_entry
subroutine kim_model_driver_create_string( &
model_driver_create_handle, string)
use, intrinsic :: iso_c_binding
import kim_model_driver_create_handle_type
implicit none
type(kim_model_driver_create_handle_type), intent(in) &
:: model_driver_create_handle
character(len=*, kind=c_char), intent(out) :: string
end subroutine kim_model_driver_create_string
end interface
end module kim_model_driver_create_module
|
