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writeatdvc.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
writeatdvc
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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
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! write the atomic displacements and velocities in Cartesian coordinates to file
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open
(50,file=
'ATDVC.OUT'
,form=
'FORMATTED'
,action=
'WRITE'
)
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do
is=1,
nspecies
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do
ia=1,
natoms
(is)
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write
(50,
'(2I4,6G18.10)'
) is,ia,
atdvc
(:,:,ia,is)
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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
writeatdvc
subroutine writeatdvc
Definition
writeatdvc.f90:7
writeatdvc.f90
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