mirror of https://gitlab.com/QEF/q-e.git
erased optional attribute for tab_d2y in pw2gw.f90
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7634 c92efa57-630b-4861-b058-cf58834340f0
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PP/pw2gw.f90
47
PP/pw2gw.f90
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@ -446,21 +446,16 @@ SUBROUTINE compute_gw( use_gmaps )
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size_tab_d2y=size(tab_d2y,1)
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ALLOCATE(vec_tab(1:size_tab))
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IF(spline_ps) ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
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ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
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DO nt = 1, ntyp
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DO nb = 1, upf(nt)%nbeta
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vkb0(:) = 0.0_dp
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vec_tab(:) = 0.0_dp
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IF(spline_ps) vec_tab_d2y(:) = 0.0_dp
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vec_tab_d2y(:) = 0.0_dp
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vec_tab(:) = tab(:,nb,nt)
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IF(spline_ps) THEN
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WRITE(0,*) "size vec_tab_d2y", size(vec_tab_d2y,1)
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WRITE(0,*) "size tab_d2y", size(tab_d2y,1)
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vec_tab_d2y(:) = tab_d2y(:,nb,nt)
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CALL gen_us_vkb0(ik,npw,vkb0,size_tab,vec_tab,spline_ps,vec_tab_d2y)
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ELSE
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CALL gen_us_vkb0(ik,npw,vkb0,size_tab,vec_tab,spline_ps)
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ENDIF
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IF(spline_ps) vec_tab_d2y(:) = tab_d2y(:,nb,nt)
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CALL gen_us_vkb0(ik,npw,vkb0,size_tab,vec_tab,spline_ps,vec_tab_d2y)
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WRITE(15,*) "---------------DEBUG-VKB0----------------------"
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WRITE(15,*) "ik= ", ik
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WRITE(15,*) "nt= ", nt
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@ -489,19 +484,15 @@ SUBROUTINE compute_gw( use_gmaps )
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size_tab_d2y=size(tab_d2y,1)
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ALLOCATE(vec_tab(1:size_tab))
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IF(spline_ps) ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
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ALLOCATE(vec_tab_d2y(1:size_tab_d2y))
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DO nt = 1, ntyp
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DO nb = 1, upf(nt)%nbeta
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djl(:) = 0.0_dp
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vec_tab(:) = 0.0_dp
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IF(spline_ps) vec_tab_d2y(:) = 0.0_dp
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vec_tab_d2y(:) = 0.0_dp
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vec_tab(:) = tab(:,nb,nt)
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IF(spline_ps) THEN
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vec_tab_d2y(:) = tab_d2y(:,nb,nt)
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CALL gen_us_djl(ik,npw,djl,size_tab,vec_tab,spline_ps,vec_tab_d2y)
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ELSE
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CALL gen_us_djl(ik,npw,djl,size_tab,vec_tab,spline_ps)
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ENDIF
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IF(spline_ps) vec_tab_d2y(:) = tab_d2y(:,nb,nt)
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CALL gen_us_djl(ik,npw,djl,size_tab,vec_tab,spline_ps,vec_tab_d2y)
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! WRITE(0,*) "---------------DEBUG-----------------------"
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! WRITE(0,*) "spline: ", spline_ps
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! WRITE(0,*) "ik= ", ik
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@ -1114,15 +1105,6 @@ SUBROUTINE diropn_gw (unit, filename, recl, exst, mpime, nd_nmbr_ )
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RETURN
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END SUBROUTINE diropn_gw
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!
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! Copyright (C) 2010 Layla Martin-Samos
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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!----------------------------------------------------------------------
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subroutine gen_us_djl (ik,npw,djl,size_tab,vec_tab, spline_ps, vec_tab_d2y)
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!----------------------------------------------------------------------
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@ -1147,7 +1129,7 @@ subroutine gen_us_djl (ik,npw,djl,size_tab,vec_tab, spline_ps, vec_tab_d2y)
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integer, intent(in) :: ik, npw
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integer, intent(in) :: size_tab
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real(DP), intent(in) :: vec_tab(1:size_tab)
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real(DP), optional, intent(in) :: vec_tab_d2y(1:size_tab)
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real(DP), intent(in) :: vec_tab_d2y(1:size_tab)
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logical :: spline_ps
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!
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integer :: i0, i1, i2, &
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@ -1210,13 +1192,6 @@ subroutine gen_us_djl (ik,npw,djl,size_tab,vec_tab, spline_ps, vec_tab_d2y)
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return
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end subroutine gen_us_djl
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!
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! Copyright (C) 2010 Layla Martin-Samos
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!
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!----------------------------------------------------------------------
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subroutine gen_us_vkb0 (ik,npw,vkb0,size_tab,vec_tab, spline_ps, vec_tab_d2y)
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!----------------------------------------------------------------------
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@ -1241,7 +1216,7 @@ subroutine gen_us_vkb0 (ik,npw,vkb0,size_tab,vec_tab, spline_ps, vec_tab_d2y)
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integer, intent(in) :: ik, npw
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integer, intent(in) :: size_tab
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real(DP), intent(in) :: vec_tab(1:size_tab)
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real(DP), optional, intent(in) :: vec_tab_d2y(1:size_tab)
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real(DP), intent(in) :: vec_tab_d2y(1:size_tab)
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logical :: spline_ps
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!
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integer :: na, nt, nb, ikb,i0, i1, i2, &
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