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!
! KIM-API: An API for interatomic models
! Copyright (c) 2013--2022, Regents of the University of Minnesota.
! All rights reserved.
!
! Contributors:
! Ryan S. Elliott
!
! SPDX-License-Identifier: LGPL-2.1-or-later
!
! This library is free software; you can redistribute it and/or
! modify it under the terms of the GNU Lesser General Public
! License as published by the Free Software Foundation; either
! version 2.1 of the License, or (at your option) any later version.
!
! This library is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
! Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with this library; if not, write to the Free Software Foundation,
! Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
!
!
! Release: This file is part of the kim-api.git repository.
!
!> \brief \copybrief KIM::ModelCreate
!!
!! \sa KIM::ModelCreate, KIM_ModelCreate
!!
!! \since 2.0
module kim_model_create_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
! Derived types
kim_model_create_handle_type, &
! Constants
KIM_MODEL_CREATE_NULL_HANDLE, &
! Routines
operator(.eq.), &
operator(.ne.), &
kim_set_model_numbering, &
kim_set_influence_distance_pointer, &
kim_set_neighbor_list_pointers, &
kim_set_routine_pointer, &
kim_set_species_code, &
kim_set_parameter_pointer, &
kim_set_model_buffer_pointer, &
kim_set_units, &
kim_convert_unit, &
kim_log_entry, &
kim_to_string
!> \brief \copybrief KIM::ModelCreate
!!
!! \sa KIM::ModelCreate, KIM_ModelCreate
!!
!! \since 2.0
type, bind(c) :: kim_model_create_handle_type
type(c_ptr) :: p = c_null_ptr
end type kim_model_create_handle_type
!> \brief NULL handle for use in comparisons.
!!
!! \since 2.0
type(kim_model_create_handle_type), protected, save &
:: KIM_MODEL_CREATE_NULL_HANDLE
!> \brief Compares kim_model_create_handle_type's for equality.
!!
!! \since 2.0
interface operator(.eq.)
module procedure kim_model_create_handle_equal
end interface operator(.eq.)
!> \brief Compares kim_model_create_handle_type's for inequality.
!!
!! \since 2.0
interface operator(.ne.)
module procedure kim_model_create_handle_not_equal
end interface operator(.ne.)
!> \brief \copybrief KIM::ModelCreate::SetModelNumbering
!!
!! \sa KIM::ModelCreate::SetModelNumbering, KIM_ModelCreate_SetModelNumbering
!!
!! \since 2.0
interface kim_set_model_numbering
module procedure kim_model_create_set_model_numbering
end interface kim_set_model_numbering
!> \brief \copybrief KIM::ModelCreate::SetInfluenceDistancePointer
!!
!! \sa KIM::ModelCreate::SetInfluenceDistancePointer,
!! KIM_ModelCreate_SetInfluenceDistancePointer
!!
!! \since 2.0
interface kim_set_influence_distance_pointer
module procedure kim_model_create_set_influence_distance_pointer
end interface kim_set_influence_distance_pointer
!> \brief \copybrief KIM::ModelCreate::SetNeighborListPointers
!!
!! \sa KIM::ModelCreate::SetNeighborListPointers,
!! KIM_ModelCreate_SetNeighborListPointers
!!
!! \since 2.0
interface kim_set_neighbor_list_pointers
module procedure kim_model_create_set_neighbor_list_pointers
end interface kim_set_neighbor_list_pointers
!> \brief \copybrief KIM::ModelCreate::SetRoutinePointer
!!
!! \sa KIM::ModelCreate::SetRoutinePointer, KIM_ModelCreate_SetRoutinePointer
!!
!! \since 2.0
interface kim_set_routine_pointer
module procedure kim_model_create_set_routine_pointer
end interface kim_set_routine_pointer
!> \brief \copybrief KIM::ModelCreate::SetSpeciesCode
!!
!! \sa KIM::ModelCreate::SetSpeciesCode, KIM_ModelCreate_SetSpeciesCode
!!
!! \since 2.0
interface kim_set_species_code
module procedure kim_model_create_set_species_code
end interface kim_set_species_code
!> \brief \copybrief KIM::ModelCreate::SetParameterPointer
!!
!! \sa KIM::ModelCreate::SetParameterPointer,
!! KIM_ModelCreate_SetParameterPointerInteger,
!! KIM_ModelCreate_SetParameterPointerDouble
!!
!! \since 2.0
interface kim_set_parameter_pointer
module procedure kim_model_create_set_parameter_pointer_integer
module procedure kim_model_create_set_parameter_pointer_double
end interface kim_set_parameter_pointer
!> \brief \copybrief KIM::ModelCreate::SetModelBufferPointer
!!
!! \sa KIM::ModelCreate::SetModelBufferPointer,
!! KIM_ModelCreate_SetModelBufferPointer
!!
!! \since 2.0
interface kim_set_model_buffer_pointer
module procedure kim_model_create_set_model_buffer_pointer
end interface kim_set_model_buffer_pointer
!> \brief \copybrief KIM::ModelCreate::SetUnits
!!
!! \sa KIM::ModelCreate::SetUnits, KIM_ModelCreate_SetUnits
!!
!! \since 2.0
interface kim_set_units
module procedure kim_model_create_set_units
end interface kim_set_units
!> \brief \copybrief KIM::ModelCreate::ConvertUnit
!!
!! \sa KIM::ModelCreate::ConvertUnit, KIM_ModelCreate_ConvertUnit
!!
!! \since 2.0
interface kim_convert_unit
module procedure kim_model_create_convert_unit
end interface kim_convert_unit
!> \brief \copybrief KIM::ModelCreate::LogEntry
!!
!! \sa KIM::ModelCreate::LogEntry, KIM_ModelCreate_LogEntry
!!
!! \since 2.0
interface kim_log_entry
module procedure kim_model_create_log_entry
end interface kim_log_entry
!> \brief \copybrief KIM::ModelCreate::ToString
!!
!! \sa KIM::ModelCreate::ToString, KIM_ModelCreate_ToString
!!
!! \since 2.0
interface kim_to_string
module procedure kim_model_create_to_string
end interface kim_to_string
contains
!> \brief Compares kim_model_create_handle_type's for equality.
!!
!! \since 2.0
logical recursive function kim_model_create_handle_equal(lhs, rhs)
implicit none
type(kim_model_create_handle_type), intent(in) :: lhs
type(kim_model_create_handle_type), intent(in) :: rhs
if ((.not. c_associated(lhs%p)) .and. (.not. c_associated(rhs%p))) then
kim_model_create_handle_equal = .true.
else
kim_model_create_handle_equal = c_associated(lhs%p, rhs%p)
end if
end function kim_model_create_handle_equal
!> \brief Compares kim_model_create_handle_type's for inequality.
!!
!! \since 2.0
logical recursive function kim_model_create_handle_not_equal(lhs, rhs)
implicit none
type(kim_model_create_handle_type), intent(in) :: lhs
type(kim_model_create_handle_type), intent(in) :: rhs
kim_model_create_handle_not_equal = .not. (lhs == rhs)
end function kim_model_create_handle_not_equal
!> \brief \copybrief KIM::ModelCreate::SetModelNumbering
!!
!! \sa KIM::ModelCreate::SetModelNumbering, KIM_ModelCreate_SetModelNumbering
!!
!! \since 2.0
recursive subroutine kim_model_create_set_model_numbering( &
model_create_handle, numbering, ierr)
use kim_numbering_module, only: kim_numbering_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
integer(c_int) recursive function set_model_numbering( &
model_create, numbering) &
bind(c, name="KIM_ModelCreate_SetModelNumbering")
use, intrinsic :: iso_c_binding
use kim_numbering_module, only: kim_numbering_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
type(kim_numbering_type), intent(in), value :: numbering
end function set_model_numbering
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
type(kim_numbering_type), intent(in) :: numbering
integer(c_int), intent(out) :: ierr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
ierr = set_model_numbering(model_create, numbering)
end subroutine kim_model_create_set_model_numbering
!> \brief \copybrief KIM::ModelCreate::SetInfluenceDistancePointer
!!
!! \sa KIM::ModelCreate::SetInfluenceDistancePointer,
!! KIM_ModelCreate_SetInfluenceDistancePointer
!!
!! \since 2.0
recursive subroutine kim_model_create_set_influence_distance_pointer( &
model_create_handle, influence_distance)
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
recursive subroutine set_influence_distance_pointer(model_create, &
influence_distance) &
bind(c, name="KIM_ModelCreate_SetInfluenceDistancePointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
type(c_ptr), intent(in), value :: influence_distance
end subroutine set_influence_distance_pointer
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
real(c_double), intent(in), target :: influence_distance
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
call set_influence_distance_pointer(model_create, &
c_loc(influence_distance))
end subroutine kim_model_create_set_influence_distance_pointer
!> \brief \copybrief KIM::ModelCreate::SetNeighborListPointers
!!
!! \sa KIM::ModelCreate::SetNeighborListPointers,
!! KIM_ModelCreate_SetNeighborListPointers
!!
!! \since 2.0
recursive subroutine kim_model_create_set_neighbor_list_pointers( &
model_create_handle, number_of_neighbor_lists, cutoffs, &
model_will_not_request_neighbors_of_noncontributing_particles)
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
recursive subroutine set_neighbor_list_pointers( &
model_create, number_of_neighbor_lists, cutoffs_ptr, &
model_will_not_request_neighbors_of_noncontributing_particles) &
bind(c, name="KIM_ModelCreate_SetNeighborListPointers")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
integer(c_int), intent(in), value :: number_of_neighbor_lists
type(c_ptr), intent(in), value :: cutoffs_ptr
type(c_ptr), intent(in), value :: &
model_will_not_request_neighbors_of_noncontributing_particles
end subroutine set_neighbor_list_pointers
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
integer(c_int), intent(in) :: 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)
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
call set_neighbor_list_pointers( &
model_create, number_of_neighbor_lists, c_loc(cutoffs), &
c_loc(model_will_not_request_neighbors_of_noncontributing_particles))
end subroutine kim_model_create_set_neighbor_list_pointers
!> \brief \copybrief KIM::ModelCreate::SetRoutinePointer
!!
!! \sa KIM::ModelCreate::SetRoutinePointer, KIM_ModelCreate_SetRoutinePointer
!!
!! \since 2.0
recursive subroutine kim_model_create_set_routine_pointer( &
model_create_handle, model_routine_name, language_name, required, fptr, &
ierr)
use kim_model_routine_name_module, only: kim_model_routine_name_type
use kim_language_name_module, only: kim_language_name_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
integer(c_int) recursive function set_routine_pointer( &
model_create, model_routine_name, language_name, required, fptr) &
bind(c, name="KIM_ModelCreate_SetRoutinePointer")
use, intrinsic :: iso_c_binding
use kim_model_routine_name_module, only: kim_model_routine_name_type
use kim_language_name_module, only: kim_language_name_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
type(kim_model_routine_name_type), intent(in), value &
:: model_routine_name
type(kim_language_name_type), intent(in), value :: language_name
integer(c_int), intent(in), value :: required
type(c_funptr), intent(in), value :: fptr
end function set_routine_pointer
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
type(kim_model_routine_name_type), intent(in) :: model_routine_name
type(kim_language_name_type), intent(in) :: language_name
integer(c_int), intent(in) :: required
type(c_funptr), intent(in), value :: fptr ! must be left as "value"!?!
integer(c_int), intent(out) :: ierr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
ierr = set_routine_pointer(model_create, model_routine_name, &
language_name, required, fptr)
end subroutine kim_model_create_set_routine_pointer
!> \brief \copybrief KIM::ModelCreate::SetSpeciesCode
!!
!! \sa KIM::ModelCreate::SetSpeciesCode, KIM_ModelCreate_SetSpeciesCode
!!
!! \since 2.0
recursive subroutine kim_model_create_set_species_code( &
model_create_handle, species_name, code, ierr)
use kim_species_name_module, only: kim_species_name_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
integer(c_int) recursive function set_species_code(model_create, &
species_name, code) &
bind(c, name="KIM_ModelCreate_SetSpeciesCode")
use, intrinsic :: iso_c_binding
use kim_species_name_module, only: kim_species_name_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
type(kim_species_name_type), intent(in), value :: species_name
integer(c_int), intent(in), value :: code
end function set_species_code
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
type(kim_species_name_type), intent(in) :: species_name
integer(c_int), intent(in) :: code
integer(c_int), intent(out) :: ierr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
ierr = set_species_code(model_create, species_name, code)
end subroutine kim_model_create_set_species_code
!> \brief \copybrief KIM::ModelCreate::SetParameterPointer
!!
!! \sa KIM::ModelCreate::SetParameterPointer,
!! KIM_ModelCreate_SetParameterPointerInteger
!!
!! \since 2.0
recursive subroutine kim_model_create_set_parameter_pointer_integer( &
model_create_handle, int1, name, description, ierr)
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_handle_type), intent(in) :: model_create_handle
integer(c_int), intent(in), target :: int1(:)
character(len=*, kind=c_char), intent(in) :: name
character(len=*, kind=c_char), intent(in) :: description
integer(c_int), intent(out) :: ierr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
call set_parameter(model_create, size(int1, 1, c_int), int1, name, &
description, ierr)
return
contains
recursive subroutine set_parameter(model_create, extent, int1, name, &
description, ierr)
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
integer(c_int) recursive function set_parameter_pointer_integer( &
model_create, extent, ptr, name, description) &
bind(c, name="KIM_ModelCreate_SetParameterPointerInteger")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
integer(c_int), intent(in), value :: extent
type(c_ptr), intent(in), value :: ptr
character(c_char), intent(in) :: name(*)
character(c_char), intent(in) :: description(*)
end function set_parameter_pointer_integer
end interface
type(kim_model_create_type), intent(in) :: model_create
integer(c_int), intent(in) :: extent
integer(c_int), intent(in), target :: int1(extent)
character(len=*, kind=c_char), intent(in) :: name
character(len=*, kind=c_char), intent(in) :: description
integer(c_int), intent(out) :: ierr
ierr = set_parameter_pointer_integer(model_create, &
extent, &
c_loc(int1), &
trim(name)//c_null_char, &
trim(description)//c_null_char)
end subroutine set_parameter
end subroutine kim_model_create_set_parameter_pointer_integer
!> \brief \copybrief KIM::ModelCreate::SetParameterPointer
!!
!! \sa KIM::ModelCreate::SetParameterPointer,
!! KIM_ModelCreate_SetParameterPointerDouble
!!
!! \since 2.0
recursive subroutine kim_model_create_set_parameter_pointer_double( &
model_create_handle, double1, name, description, ierr)
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_handle_type), intent(in) :: model_create_handle
real(c_double), intent(in), target :: double1(:)
character(len=*, kind=c_char), intent(in) :: name
character(len=*, kind=c_char), intent(in) :: description
integer(c_int), intent(out) :: ierr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
call set_parameter(model_create, size(double1, 1, c_int), double1, &
name, description, ierr)
return
contains
recursive subroutine set_parameter(model_create, extent, double1, name, &
description, ierr)
implicit none
interface
integer(c_int) recursive function set_parameter_pointer_double( &
model_create, extent, ptr, name, description) &
bind(c, name="KIM_ModelCreate_SetParameterPointerDouble")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
integer(c_int), intent(in), value :: extent
type(c_ptr), intent(in), value :: ptr
character(c_char), intent(in) :: name(*)
character(c_char), intent(in) :: description(*)
end function set_parameter_pointer_double
end interface
type(kim_model_create_type), intent(in) :: model_create
integer(c_int), intent(in) :: extent
real(c_double), intent(in), target :: double1(extent)
character(len=*, kind=c_char), intent(in) :: name
character(len=*, kind=c_char), intent(in) :: description
integer(c_int), intent(out) :: ierr
ierr = set_parameter_pointer_double(model_create, &
extent, &
c_loc(double1), &
trim(name)//c_null_char, &
trim(description)//c_null_char)
end subroutine set_parameter
end subroutine kim_model_create_set_parameter_pointer_double
!> \brief \copybrief KIM::ModelCreate::SetModelBufferPointer
!!
!! \sa KIM::ModelCreate::SetModelBufferPointer,
!! KIM_ModelCreate_SetModelBufferPointer
!!
!! \since 2.0
recursive subroutine kim_model_create_set_model_buffer_pointer( &
model_create_handle, ptr)
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
recursive subroutine set_model_buffer_pointer(model_create, ptr) &
bind(c, name="KIM_ModelCreate_SetModelBufferPointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
type(c_ptr), intent(in), value :: ptr
end subroutine set_model_buffer_pointer
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
type(c_ptr), intent(in) :: ptr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
call set_model_buffer_pointer(model_create, ptr)
end subroutine kim_model_create_set_model_buffer_pointer
!> \brief \copybrief KIM::ModelCreate::SetUnits
!!
!! \sa KIM::ModelCreate::SetUnits, KIM_ModelCreate_SetUnits
!!
!! \since 2.0
recursive subroutine kim_model_create_set_units( &
model_create_handle, length_unit, energy_unit, charge_unit, &
temperature_unit, time_unit, ierr)
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
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
integer(c_int) recursive function set_units( &
model_create, length_unit, energy_unit, charge_unit, temperature_unit, &
time_unit) bind(c, name="KIM_ModelCreate_SetUnits")
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
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
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
end function set_units
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
type(kim_length_unit_type), intent(in) :: length_unit
type(kim_energy_unit_type), intent(in) :: energy_unit
type(kim_charge_unit_type), intent(in) :: charge_unit
type(kim_temperature_unit_type), intent(in) :: temperature_unit
type(kim_time_unit_type), intent(in) :: time_unit
integer(c_int), intent(out) :: ierr
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
ierr = set_units(model_create, length_unit, energy_unit, &
charge_unit, temperature_unit, time_unit)
end subroutine kim_model_create_set_units
!> \brief \copybrief KIM::ModelCreate::ConvertUnit
!!
!! \sa KIM::ModelCreate::ConvertUnit, KIM_ModelCreate_ConvertUnit
!!
!! \since 2.0
recursive subroutine kim_model_create_convert_unit( &
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 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
implicit none
interface
integer(c_int) recursive function convert_unit( &
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) &
bind(c, name="KIM_ModelCreate_ConvertUnit")
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
implicit none
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
end function convert_unit
end interface
type(kim_length_unit_type), intent(in) :: from_length_unit
type(kim_energy_unit_type), intent(in) :: from_energy_unit
type(kim_charge_unit_type), intent(in) :: from_charge_unit
type(kim_temperature_unit_type), intent(in) :: from_temperature_unit
type(kim_time_unit_type), intent(in) :: from_time_unit
type(kim_length_unit_type), intent(in) :: to_length_unit
type(kim_energy_unit_type), intent(in) :: to_energy_unit
type(kim_charge_unit_type), intent(in) :: to_charge_unit
type(kim_temperature_unit_type), intent(in) :: to_temperature_unit
type(kim_time_unit_type), intent(in) :: to_time_unit
real(c_double), intent(in) :: length_exponent
real(c_double), intent(in) :: energy_exponent
real(c_double), intent(in) :: charge_exponent
real(c_double), intent(in) :: temperature_exponent
real(c_double), intent(in) :: time_exponent
real(c_double), intent(out) :: conversion_factor
integer(c_int), intent(out) :: ierr
ierr = convert_unit(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)
end subroutine kim_model_create_convert_unit
!> \brief \copybrief KIM::ModelCreate::LogEntry
!!
!! \sa KIM::ModelCreate::LogEntry, KIM_ModelCreate_LogEntry
!!
!! \since 2.0
recursive subroutine kim_model_create_log_entry(model_create_handle, &
log_verbosity, message)
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
recursive subroutine log_entry(model_create, log_verbosity, message, &
line_number, file_name) &
bind(c, name="KIM_ModelCreate_LogEntry")
use, intrinsic :: iso_c_binding
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
type(kim_log_verbosity_type), intent(in), value :: log_verbosity
character(c_char), intent(in) :: message(*)
integer(c_int), intent(in), value :: line_number
character(c_char), intent(in) :: file_name(*)
end subroutine log_entry
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
type(kim_log_verbosity_type), intent(in) :: log_verbosity
character(len=*, kind=c_char), intent(in) :: message
type(kim_model_create_type), pointer :: model_create
call c_f_pointer(model_create_handle%p, model_create)
call log_entry(model_create, log_verbosity, trim(message)//c_null_char, &
0, ""//c_null_char)
end subroutine kim_model_create_log_entry
!> \brief \copybrief KIM::ModelCreate::ToString
!!
!! \sa KIM::ModelCreate::ToString, KIM_ModelCreate_ToString
!!
!! \since 2.0
recursive subroutine kim_model_create_to_string(model_create_handle, string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
interface
type(c_ptr) recursive function model_create_string(model_create) &
bind(c, name="KIM_ModelCreate_ToString")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_create_type
implicit none
type(kim_model_create_type), intent(in) :: model_create
end function model_create_string
end interface
type(kim_model_create_handle_type), intent(in) :: model_create_handle
character(len=*, kind=c_char), intent(out) :: string
type(kim_model_create_type), pointer :: model_create
type(c_ptr) :: p
call c_f_pointer(model_create_handle%p, model_create)
p = model_create_string(model_create)
call kim_convert_c_char_ptr_to_string(p, string)
end subroutine kim_model_create_to_string
end module kim_model_create_module
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