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readatdvc.f90
Go to the documentation of this file.
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! Copyright (C) 2020 J. K. Dewhurst and S. Sharma.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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subroutine
readatdvc
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use
modmain
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implicit none
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! local variables
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integer
is,ia,is_,ia_,ios
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open
(50,file=
'ATDVC.OUT'
,form=
'FORMATTED'
,action=
'READ'
,status=
'OLD'
,iostat=ios)
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if
(ios /= 0)
then
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write
(*,*)
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write
(*,
'("Error(readatdvc): error opening ATDVC.OUT")'
)
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write
(*,*)
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stop
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end if
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do
is=1,
nspecies
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do
ia=1,
natoms
(is)
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read
(50,*) is_,ia_,
atdvc
(:,:,ia,is)
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if
((is /= is_).or.(ia /= ia_))
then
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write
(*,*)
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write
(*,
'("Error(readatdvc): species or atom number mismatch")'
)
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write
(*,
'(" internal : ",2I4)'
) is,ia
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write
(*,
'(" ATDVC.OUT : ",2I4)'
) is_,ia_
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write
(*,*)
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stop
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end if
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end do
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end do
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close
(50)
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end subroutine
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modmain
Definition
modmain.f90:6
modmain::natoms
integer, dimension(maxspecies) natoms
Definition
modmain.f90:36
modmain::nspecies
integer nspecies
Definition
modmain.f90:34
modmain::atdvc
real(8), dimension(3, 0:1, maxatoms, maxspecies) atdvc
Definition
modmain.f90:64
readatdvc
subroutine readatdvc
Definition
readatdvc.f90:7
readatdvc.f90
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