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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::ComputeArgumentName
!!
!! \sa KIM::ComputeArgumentName, KIM_ComputeArgumentName
!!
!! \since 2.0
module kim_compute_argument_name_module
use, intrinsic :: iso_c_binding
implicit none
private
public &
! Derived types
kim_compute_argument_name_type, &
! Constants
KIM_COMPUTE_ARGUMENT_NAME_NUMBER_OF_PARTICLES, &
KIM_COMPUTE_ARGUMENT_NAME_PARTICLE_SPECIES_CODES, &
KIM_COMPUTE_ARGUMENT_NAME_PARTICLE_CONTRIBUTING, &
KIM_COMPUTE_ARGUMENT_NAME_COORDINATES, &
KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_ENERGY, &
KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_FORCES, &
KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_PARTICLE_ENERGY, &
KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_VIRIAL, &
KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_PARTICLE_VIRIAL, &
! Routines
kim_known, &
operator(.eq.), &
operator(.ne.), &
kim_from_string, &
kim_to_string, &
kim_get_number_of_compute_argument_names, &
kim_get_compute_argument_name, &
kim_get_compute_argument_data_type
!> \brief \copybrief KIM::ComputeArgumentName
!!
!! \sa KIM::ComputeArgumentName, KIM_ComputeArgumentName
!!
!! \since 2.0
type, bind(c) :: kim_compute_argument_name_type
!> \brief \copybrief KIM::ComputeArgumentName::computeArgumentNameID
!!
!! \sa KIM::ComputeArgumentName::computeArgumentNameID,
!! KIM_ComputeArgumentName::computeArgumentNameID
!!
!! \since 2.0
integer(c_int) compute_argument_name_id
end type kim_compute_argument_name_type
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::numberOfParticles,
!! KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_numberOfParticles") &
:: KIM_COMPUTE_ARGUMENT_NAME_NUMBER_OF_PARTICLES
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::particleSpeciesCodes,
!! KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_particleSpeciesCodes") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTICLE_SPECIES_CODES
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::particleContributing
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::particleContributing,
!! KIM_COMPUTE_ARGUMENT_NAME_particleContributing
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_particleContributing") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTICLE_CONTRIBUTING
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::coordinates
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::coordinates,
!! KIM_COMPUTE_ARGUMENT_NAME_coordinates
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_coordinates") &
:: KIM_COMPUTE_ARGUMENT_NAME_COORDINATES
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::partialEnergy
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::partialEnergy,
!! KIM_COMPUTE_ARGUMENT_NAME_partialEnergy
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_partialEnergy") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_ENERGY
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::partialForces
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::partialForces,
!! KIM_COMPUTE_ARGUMENT_NAME_partialForces
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_partialForces") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_FORCES
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::partialParticleEnergy,
!! KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_partialParticleEnergy") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_PARTICLE_ENERGY
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::partialVirial
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::partialVirial,
!! KIM_COMPUTE_ARGUMENT_NAME_partialVirial
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_partialVirial") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_VIRIAL
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::partialParticleVirial,
!! KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial
!!
!! \since 2.0
type(kim_compute_argument_name_type), protected, save, &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_partialParticleVirial") &
:: KIM_COMPUTE_ARGUMENT_NAME_PARTIAL_PARTICLE_VIRIAL
!> \brief \copybrief KIM::ComputeArgumentName::Known
!!
!! \sa KIM::ComputeArgumentName::Known, KIM_ComputeArgumentName_Known
!!
!! \since 2.0
interface kim_known
module procedure kim_compute_argument_name_known
end interface kim_known
!> \brief \copybrief KIM::ComputeArgumentName::operator==()
!!
!! \sa KIM::ComputeArgumentName::operator==(), KIM_ComputeArgumentName_Equal
!!
!! \since 2.0
interface operator(.eq.)
module procedure kim_compute_argument_name_equal
end interface operator(.eq.)
!> \brief \copybrief KIM::ComputeArgumentName::operator!=()
!!
!! \sa KIM::ComputeArgumentName::operator!=(),
!! KIM_ComputeArgumentName_NotEqual
!!
!! \since 2.0
interface operator(.ne.)
module procedure kim_compute_argument_name_not_equal
end interface operator(.ne.)
!> \brief \copybrief KIM::ComputeArgumentName::<!--
!! -->ComputeArgumentName(std::string const &)
!!
!! \sa KIM::ComputeArgumentName::ComputeArgumentName(std::string const &),
!! KIM_ComputeArgumentName_FromString
!!
!! \since 2.0
interface kim_from_string
module procedure kim_compute_argument_name_from_string
end interface kim_from_string
!> \brief \copybrief KIM::ComputeArgumentName::ToString
!!
!! \sa KIM::ComputeArgumentName::ToString, KIM_ComputeArgumentName_ToString
!!
!! \since 2.0
interface kim_to_string
module procedure kim_compute_argument_name_to_string
end interface kim_to_string
contains
!> \brief \copybrief KIM::ComputeArgumentName::Known
!!
!! \sa KIM::ComputeArgumentName::Known, KIM_ComputeArgumentName_Known
!!
!! \since 2.0
logical recursive function kim_compute_argument_name_known( &
compute_argument_name)
implicit none
interface
integer(c_int) recursive function known(compute_argument_name) &
bind(c, name="KIM_ComputeArgumentName_Known")
use, intrinsic :: iso_c_binding
import kim_compute_argument_name_type
implicit none
type(kim_compute_argument_name_type), intent(in), value :: &
compute_argument_name
end function known
end interface
type(kim_compute_argument_name_type), intent(in) :: compute_argument_name
kim_compute_argument_name_known = (known(compute_argument_name) /= 0)
end function kim_compute_argument_name_known
!> \brief \copybrief KIM::ComputeArgumentName::operator==()
!!
!! \sa KIM::ComputeArgumentName::operator==(), KIM_ComputeArgumentName_Equal
!!
!! \since 2.0
logical recursive function kim_compute_argument_name_equal(lhs, rhs)
implicit none
type(kim_compute_argument_name_type), intent(in) :: lhs
type(kim_compute_argument_name_type), intent(in) :: rhs
kim_compute_argument_name_equal &
= (lhs%compute_argument_name_id == rhs%compute_argument_name_id)
end function kim_compute_argument_name_equal
!> \brief \copybrief KIM::ComputeArgumentName::operator!=()
!!
!! \sa KIM::ComputeArgumentName::operator!=(),
!! KIM_ComputeArgumentName_NotEqual
!!
!! \since 2.0
logical recursive function kim_compute_argument_name_not_equal(lhs, rhs)
implicit none
type(kim_compute_argument_name_type), intent(in) :: lhs
type(kim_compute_argument_name_type), intent(in) :: rhs
kim_compute_argument_name_not_equal = .not. (lhs == rhs)
end function kim_compute_argument_name_not_equal
!> \brief \copybrief KIM::ComputeArgumentName::<!--
!! -->ComputeArgumentName(std::string const &)
!!
!! \sa KIM::ComputeArgumentName::ComputeArgumentName(std::string const &),
!! KIM_ComputeArgumentName_FromString
!!
!! \since 2.0
recursive subroutine kim_compute_argument_name_from_string( &
string, compute_argument_name)
implicit none
interface
type(kim_compute_argument_name_type) recursive function from_string( &
string) bind(c, name="KIM_ComputeArgumentName_FromString")
use, intrinsic :: iso_c_binding
import kim_compute_argument_name_type
implicit none
character(c_char), intent(in) :: string(*)
end function from_string
end interface
character(len=*, kind=c_char), intent(in) :: string
type(kim_compute_argument_name_type), intent(out) :: compute_argument_name
compute_argument_name = from_string(trim(string)//c_null_char)
end subroutine kim_compute_argument_name_from_string
!> \brief \copybrief KIM::ComputeArgumentName::ToString
!!
!! \sa KIM::ComputeArgumentName::ToString, KIM_ComputeArgumentName_ToString
!!
!! \since 2.0
recursive subroutine kim_compute_argument_name_to_string( &
compute_argument_name, string)
use kim_convert_string_module, only: kim_convert_c_char_ptr_to_string
implicit none
interface
type(c_ptr) recursive function get_string(compute_argument_name) &
bind(c, name="KIM_ComputeArgumentName_ToString")
use, intrinsic :: iso_c_binding
import kim_compute_argument_name_type
implicit none
type(kim_compute_argument_name_type), intent(in), value :: &
compute_argument_name
end function get_string
end interface
type(kim_compute_argument_name_type), intent(in) :: &
compute_argument_name
character(len=*, kind=c_char), intent(out) :: string
type(c_ptr) :: p
p = get_string(compute_argument_name)
call kim_convert_c_char_ptr_to_string(p, string)
end subroutine kim_compute_argument_name_to_string
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::<!--
!! -->GetNumberOfComputeArgumentNames
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::GetNumberOfComputeArgumentNames,
!! KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames
!!
!! \since 2.0
recursive subroutine kim_get_number_of_compute_argument_names( &
number_of_compute_argument_names)
implicit none
interface
recursive subroutine get_number_of_compute_argument_names( &
number_of_compute_argument_names) &
bind(c, &
name="KIM_COMPUTE_ARGUMENT_NAME_GetNumberOfComputeArgumentNames")
use, intrinsic :: iso_c_binding
integer(c_int), intent(out) :: number_of_compute_argument_names
end subroutine get_number_of_compute_argument_names
end interface
integer(c_int), intent(out) :: number_of_compute_argument_names
call get_number_of_compute_argument_names(number_of_compute_argument_names)
end subroutine kim_get_number_of_compute_argument_names
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::<!--
!! -->GetComputeArgumentName
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentName,
!! KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName
!!
!! \since 2.0
recursive subroutine kim_get_compute_argument_name( &
index, compute_argument_name, ierr)
implicit none
interface
integer(c_int) recursive function get_compute_argument_name( &
index, compute_argument_name) &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentName")
use, intrinsic :: iso_c_binding
import kim_compute_argument_name_type
implicit none
integer(c_int), intent(in), value :: index
type(kim_compute_argument_name_type), intent(out) :: &
compute_argument_name
end function get_compute_argument_name
end interface
integer(c_int), intent(in) :: index
type(kim_compute_argument_name_type), intent(out) :: compute_argument_name
integer(c_int), intent(out) :: ierr
ierr = get_compute_argument_name(index - 1, compute_argument_name)
end subroutine kim_get_compute_argument_name
!> \brief \copybrief KIM::COMPUTE_ARGUMENT_NAME::<!--
!! -->GetComputeArgumentDataType
!!
!! \sa KIM::COMPUTE_ARGUMENT_NAME::GetComputeArgumentDataType,
!! KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType
!!
!! \since 2.0
recursive subroutine kim_get_compute_argument_data_type( &
compute_argument_name, &
data_type, ierr)
use kim_data_type_module, only: kim_data_type_type
implicit none
interface
integer(c_int) recursive function get_compute_argument_data_type( &
compute_argument_name, data_type) &
bind(c, name="KIM_COMPUTE_ARGUMENT_NAME_GetComputeArgumentDataType")
use, intrinsic :: iso_c_binding
use kim_data_type_module, only: kim_data_type_type
import kim_compute_argument_name_type
implicit none
type(kim_compute_argument_name_type), intent(in), value :: &
compute_argument_name
type(kim_data_type_type), intent(out) :: data_type
end function get_compute_argument_data_type
end interface
type(kim_compute_argument_name_type), intent(in) :: &
compute_argument_name
type(kim_data_type_type), intent(out) :: data_type
integer(c_int), intent(out) :: ierr
ierr = get_compute_argument_data_type(compute_argument_name, data_type)
end subroutine kim_get_compute_argument_data_type
end module kim_compute_argument_name_module
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