mirror of https://gitlab.com/QEF/q-e.git
[skip-CI] Unused variable in call removed
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2146399c30
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@ -55,7 +55,7 @@ SUBROUTINE dvpsi_kb(ik,nu)
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mu = 3*(na-1)
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IF ( u(mu+1,nu)**2+u(mu+2,nu)**2+u(mu+3,nu)**2> 1.0d-12) THEN
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nt=ityp(na)
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IF (upf(nt)%nlcc) CALL drhoc (nt, ngl, gl, omega, tpiba2, rhocg )
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IF (upf(nt)%nlcc) CALL drhoc (nt, ngl, gl, tpiba2, rhocg )
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has_nlcc = has_nlcc .or. upf(nt)%nlcc
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DO ng = 1,ngm
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gtau = tpi * ( g(1,ng)*tau(1,na) + &
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@ -63,7 +63,7 @@ SUBROUTINE dynmatcc(dyncc)
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DO na=1,nat
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nta=ityp(na)
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IF ( upf(nta)%nlcc ) THEN
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CALL drhoc (nta, ngl, gl, omega, tpiba2,, rhocg)
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CALL drhoc (nta, ngl, gl, tpiba2,, rhocg)
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DO ig=1,ngm
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exg = tpi* ( g(1,ig)*tau(1,na) + &
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g(2,ig)*tau(2,na) + &
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@ -89,7 +89,7 @@ SUBROUTINE dynmatcc(dyncc)
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DO nb=1,nat
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ntb=ityp(nb)
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IF ( upf(ntb)%nlcc ) THEN
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CALL drhoc (ntb, ngl, gl, omega, tpiba2, rhocg)
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CALL drhoc (ntb, ngl, gl, tpiba2, rhocg)
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DO ig=1,ngm
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exg = tpi* ( g(1,ig)*tau(1,nb) + &
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g(2,ig)*tau(2,nb) + &
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@ -87,7 +87,7 @@ SUBROUTINE add_shift_cc (shift_cc)
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DO nt = 1, ntyp
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IF ( upf(nt)%nlcc ) THEN
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CALL drhoc (nt, ngl, gl, omega, tpiba2, rhocg)
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CALL drhoc (nt, ngl, gl, tpiba2, rhocg)
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DO na = 1, nat
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IF (nt == ityp (na) ) THEN
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IF (gstart==2) shift_(na) = omega * rhocg (igtongl (1) ) * &
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@ -7,9 +7,9 @@
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!
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!
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!-----------------------------------------------------------------------
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SUBROUTINE drhoc( nt, ngl, gl, omega, tpiba2, rhocg )
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SUBROUTINE drhoc( nt, ngl, gl, tpiba2, rhocg )
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!-----------------------------------------------------------------------
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!! Calculates the Fourier transform of the core charge.
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!! Calculates the radial Fourier transform of the core charge.
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!
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USE kinds, ONLY : dp
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USE uspp_data, ONLY : tab_rhc, dq
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@ -22,8 +22,6 @@ SUBROUTINE drhoc( nt, ngl, gl, omega, tpiba2, rhocg )
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!! input: the number of g shell
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REAL(DP) :: gl(ngl)
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!! input: the number of G shells
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REAL(DP) :: omega
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!! input: the volume of the unit cell
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REAL(DP) :: tpiba2
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!! input: 2 times pi / alat
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REAL(DP) :: rhocg(ngl)
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@ -37,7 +35,7 @@ SUBROUTINE drhoc( nt, ngl, gl, omega, tpiba2, rhocg )
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INTEGER :: igl, i0, i1, i2, i3
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! counters
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!
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!$acc data present_or_copyin(gl) present_or_copyout(rhocg)
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!$acc data present_or_copyin(gl) present_or_copyout(rhocg) present(tab_rhc)
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!$acc parallel loop
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DO igl = 1, ngl
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gx = SQRT(gl(igl) * tpiba2)
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@ -89,7 +89,7 @@ SUBROUTINE force_cc( forcecc )
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DO nt = 1, ntyp
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IF ( upf(nt)%nlcc ) THEN
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!
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CALL drhoc( nt, ngl, gl, omega, tpiba2, rhocg )
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CALL drhoc( nt, ngl, gl, tpiba2, rhocg )
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!
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#if !defined(_OPENACC)
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!$omp parallel do private( tau1,tau2,tau3,forcecc_x,forcecc_y,forcecc_z,&
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@ -87,7 +87,7 @@ SUBROUTINE stres_cc( sigmaxcc )
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DO nt = 1, ntyp
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IF ( upf(nt)%nlcc ) THEN
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!
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CALL drhoc( nt, ngl, gl, omega, tpiba2, rhocg )
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CALL drhoc( nt, ngl, gl, tpiba2, rhocg )
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!
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! ... diagonal term
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IF (gstart==2) THEN
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