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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::ModelRefresh
!!
!! \sa KIM::ModelRefresh, KIM_ModelRefresh
!!
!! \since 2.0
module kim_model_refresh_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
! Derived types
kim_model_refresh_handle_type, &
! Constants
KIM_MODEL_REFRESH_NULL_HANDLE, &
! Routines
operator(.eq.), &
operator(.ne.), &
kim_set_influence_distance_pointer, &
kim_set_neighbor_list_pointers, &
kim_get_model_buffer_pointer, &
kim_log_entry, &
kim_to_string
!> \brief \copybrief KIM::ModelRefresh
!!
!! \sa KIM::ModelRefresh, KIM_ModelRefresh
!!
!! \since 2.0
type, bind(c) :: kim_model_refresh_handle_type
type(c_ptr) :: p = c_null_ptr
end type kim_model_refresh_handle_type
!> \brief NULL handle for use in comparisons.
!!
!! \since 2.0
type(kim_model_refresh_handle_type), protected, save &
:: KIM_MODEL_REFRESH_NULL_HANDLE
!> \brief Compares kim_model_refresh_handle_type's for equality.
!!
!! \since 2.0
interface operator(.eq.)
module procedure kim_model_refresh_handle_equal
end interface operator(.eq.)
!> \brief Compares kim_model_refresh_handle_type's for inequality.
!!
!! \since 2.0
interface operator(.ne.)
module procedure kim_model_refresh_handle_not_equal
end interface operator(.ne.)
!> \brief \copybrief KIM::ModelRefresh::SetInfluenceDistancePointer
!!
!! \sa KIM::ModelRefresh::SetInfluenceDistancePointer,
!! KIM_ModelRefresh_SetInfluenceDistancePointer
!!
!! \since 2.0
interface kim_set_influence_distance_pointer
module procedure kim_model_refresh_set_influence_distance_pointer
end interface kim_set_influence_distance_pointer
!> \brief \copybrief KIM::ModelRefresh::SetNeighborListPointers
!!
!! \sa KIM::ModelRefresh::SetNeighborListPointers,
!! KIM_ModelRefresh_SetNeighborListPointers
!!
!! \since 2.0
interface kim_set_neighbor_list_pointers
module procedure kim_model_refresh_set_neighbor_list_pointers
end interface kim_set_neighbor_list_pointers
!> \brief \copybrief KIM::ModelRefresh::GetModelBufferPointer
!!
!! \sa KIM::ModelRefresh::GetModelBufferPointer,
!! KIM_ModelRefresh_GetModelBufferPointer
!!
!! \since 2.0
interface kim_get_model_buffer_pointer
module procedure kim_model_refresh_get_model_buffer_pointer
end interface kim_get_model_buffer_pointer
!> \brief \copybrief KIM::ModelRefresh::LogEntry
!!
!! \sa KIM::ModelRefresh::LogEntry, KIM_ModelRefresh_LogEntry
!!
!! \since 2.0
interface kim_log_entry
module procedure kim_model_refresh_log_entry
end interface kim_log_entry
!> \brief \copybrief KIM::ModelRefresh::ToString
!!
!! \sa KIM::ModelRefresh::ToString, KIM_ModelRefresh_ToString
!!
!! \since 2.0
interface kim_to_string
module procedure kim_model_refresh_to_string
end interface kim_to_string
contains
!> \brief Compares kim_model_refresh_handle_type's for equality.
!!
!! \since 2.0
logical recursive function kim_model_refresh_handle_equal(lhs, rhs)
implicit none
type(kim_model_refresh_handle_type), intent(in) :: lhs
type(kim_model_refresh_handle_type), intent(in) :: rhs
if ((.not. c_associated(lhs%p) .and. c_associated(rhs%p))) then
kim_model_refresh_handle_equal = .true.
else
kim_model_refresh_handle_equal = c_associated(lhs%p, rhs%p)
end if
end function kim_model_refresh_handle_equal
!> \brief Compares kim_model_refresh_handle_type's for inequality.
!!
!! \since 2.0
logical recursive function kim_model_refresh_handle_not_equal(lhs, rhs)
implicit none
type(kim_model_refresh_handle_type), intent(in) :: lhs
type(kim_model_refresh_handle_type), intent(in) :: rhs
kim_model_refresh_handle_not_equal = .not. (lhs == rhs)
end function kim_model_refresh_handle_not_equal
!> \brief \copybrief KIM::ModelRefresh::SetInfluenceDistancePointer
!!
!! \sa KIM::ModelRefresh::SetInfluenceDistancePointer,
!! KIM_ModelRefresh_SetInfluenceDistancePointer
!!
!! \since 2.0
recursive subroutine kim_model_refresh_set_influence_distance_pointer( &
model_refresh_handle, influence_distance)
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
interface
recursive subroutine set_influence_distance_pointer(model_refresh, &
influence_distance) &
bind(c, name="KIM_ModelRefresh_SetInfluenceDistancePointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
type(kim_model_refresh_type), intent(in) :: &
model_refresh
type(c_ptr), intent(in), value :: influence_distance
end subroutine set_influence_distance_pointer
end interface
type(kim_model_refresh_handle_type), intent(in) :: model_refresh_handle
real(c_double), intent(in), target :: influence_distance
type(kim_model_refresh_type), pointer :: model_refresh
call c_f_pointer(model_refresh_handle%p, model_refresh)
call set_influence_distance_pointer(model_refresh, &
c_loc(influence_distance))
end subroutine kim_model_refresh_set_influence_distance_pointer
!> \brief \copybrief KIM::ModelRefresh::SetNeighborListPointers
!!
!! \sa KIM::ModelRefresh::SetNeighborListPointers,
!! KIM_ModelRefresh_SetNeighborListPointers
!!
!! \since 2.0
recursive subroutine kim_model_refresh_set_neighbor_list_pointers( &
model_refresh_handle, number_of_neighbor_lists, cutoffs, &
modelWillNotRequestNeighborsOfNoncontributingParticles)
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
interface
recursive subroutine set_neighbor_list_pointers( &
model_refresh, number_of_neighbor_lists, cutoffs_ptr, &
modelWillNotRequestNeighborsOfNoncontributingParticles) &
bind(c, name="KIM_ModelRefresh_SetNeighborListPointers")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
type(kim_model_refresh_type), intent(in) :: &
model_refresh
integer(c_int), intent(in), value :: number_of_neighbor_lists
type(c_ptr), intent(in), value :: cutoffs_ptr
type(c_ptr), intent(in), value :: &
modelWillNotRequestNeighborsOfNoncontributingParticles
end subroutine set_neighbor_list_pointers
end interface
type(kim_model_refresh_handle_type), intent(in) :: model_refresh_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 :: &
modelWillNotRequestNeighborsOfNoncontributingParticles( &
number_of_neighbor_lists)
type(kim_model_refresh_type), pointer :: model_refresh
call c_f_pointer(model_refresh_handle%p, model_refresh)
call set_neighbor_list_pointers( &
model_refresh, number_of_neighbor_lists, c_loc(cutoffs), &
c_loc(modelWillNotRequestNeighborsOfNoncontributingParticles))
end subroutine kim_model_refresh_set_neighbor_list_pointers
!> \brief \copybrief KIM::ModelRefresh::GetModelBufferPointer
!!
!! \sa KIM::ModelRefresh::GetModelBufferPointer,
!! KIM_ModelRefresh_GetModelBufferPointer
!!
!! \since 2.0
recursive subroutine kim_model_refresh_get_model_buffer_pointer( &
model_refresh_handle, ptr)
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
interface
recursive subroutine get_model_buffer_pointer(model_refresh, ptr) &
bind(c, name="KIM_ModelRefresh_GetModelBufferPointer")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
type(kim_model_refresh_type), intent(in) :: &
model_refresh
type(c_ptr), intent(out) :: ptr
end subroutine get_model_buffer_pointer
end interface
type(kim_model_refresh_handle_type), intent(in) :: model_refresh_handle
type(c_ptr), intent(out) :: ptr
type(kim_model_refresh_type), pointer :: model_refresh
call c_f_pointer(model_refresh_handle%p, model_refresh)
call get_model_buffer_pointer(model_refresh, ptr)
end subroutine kim_model_refresh_get_model_buffer_pointer
!> \brief \copybrief KIM::ModelRefresh::LogEntry
!!
!! \sa KIM::ModelRefresh::LogEntry, KIM_ModelRefresh_LogEntry
!!
!! \since 2.0
recursive subroutine kim_model_refresh_log_entry(model_refresh_handle, &
log_verbosity, message)
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
interface
recursive subroutine log_entry( &
model_refresh, log_verbosity, message, line_number, file_name) &
bind(c, name="KIM_ModelRefresh_LogEntry")
use, intrinsic :: iso_c_binding
use kim_log_verbosity_module, only: kim_log_verbosity_type
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
type(kim_model_refresh_type), intent(in) :: &
model_refresh
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_refresh_handle_type), intent(in) :: model_refresh_handle
type(kim_log_verbosity_type), intent(in) :: log_verbosity
character(len=*, kind=c_char), intent(in) :: message
type(kim_model_refresh_type), pointer :: model_refresh
call c_f_pointer(model_refresh_handle%p, model_refresh)
call log_entry(model_refresh, log_verbosity, trim(message)//c_null_char, &
0, ""//c_null_char)
end subroutine kim_model_refresh_log_entry
!> \brief \copybrief KIM::ModelRefresh::ToString
!!
!! \sa KIM::ModelRefresh::ToString, KIM_ModelRefresh_ToString
!!
!! \since 2.0
recursive subroutine kim_model_refresh_to_string(model_refresh_handle, string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
interface
type(c_ptr) recursive function model_refresh_string(model_refresh) &
bind(c, name="KIM_ModelRefresh_ToString")
use, intrinsic :: iso_c_binding
use kim_interoperable_types_module, only: kim_model_refresh_type
implicit none
type(kim_model_refresh_type), intent(in) :: &
model_refresh
end function model_refresh_string
end interface
type(kim_model_refresh_handle_type), intent(in) :: model_refresh_handle
character(len=*, kind=c_char), intent(out) :: string
type(kim_model_refresh_type), pointer :: model_refresh
type(c_ptr) :: p
call c_f_pointer(model_refresh_handle%p, model_refresh)
p = model_refresh_string(model_refresh)
call kim_convert_c_char_ptr_to_string(p, string)
end subroutine kim_model_refresh_to_string
end module kim_model_refresh_module
|
