mirror of https://gitlab.com/QEF/q-e.git
Minor cleanup
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7476 c92efa57-630b-4861-b058-cf58834340f0
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@ -35,8 +35,7 @@
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use gvect, only: gstart
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use ions_base, only: na, nat, pmass, nax, nsp, rcmax
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use grid_dimensions, only: nrxx, nr1, nr2, nr3
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use cell_base, only: omega, alat
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use cell_base, only: h, hold, deth, wmass, tpiba2
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use cell_base, only: omega, alat, tpiba2
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use smooth_grid_dimensions, only: nrxxs
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use local_pseudo, only: vps, rhops
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use io_global, ONLY : stdout, ionode, ionode_id
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@ -20,7 +20,7 @@ SUBROUTINE from_scratch( )
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USE ions_nose, ONLY : xnhp0, xnhpm, vnhp
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USE cell_base, ONLY : ainv, h, s_to_r, ibrav, omega, press, &
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hold, r_to_s, deth, wmass, iforceh, &
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cell_force, boxdimensions, velh, at, alat
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cell_force, velh, at, alat
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USE cell_nose, ONLY : xnhh0, xnhhm, vnhh
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USE electrons_nose, ONLY : xnhe0, xnhem, vnhe
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use electrons_base, ONLY : nbsp, f, nspin, nupdwn, iupdwn, nbsp_bgrp, nbspx_bgrp, nbspx
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@ -47,7 +47,6 @@
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USE grid_dimensions, &
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ONLY: nrxx, nr1, nr2, nr3
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USE cell_base, ONLY: omega, alat
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USE cell_base, ONLY: h, hold, deth, wmass
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USE smooth_grid_dimensions, &
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ONLY: nrxxs, nr1s, nr2s, nr3s
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USE local_pseudo, ONLY: vps, rhops
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@ -356,7 +355,6 @@
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USE grid_dimensions, &
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ONLY: nrxx, nr1, nr2, nr3
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USE cell_base, ONLY: omega, alat
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USE cell_base, ONLY: h, hold, deth, wmass
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USE smooth_grid_dimensions, &
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ONLY: nrxxs, nr1s, nr2s, nr3s
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USE local_pseudo, ONLY: vps, rhops
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@ -548,7 +546,6 @@
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USE grid_dimensions, &
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ONLY: nrxx, nr1, nr2, nr3
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USE cell_base, ONLY: omega, alat
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USE cell_base, ONLY: h, hold, deth, wmass
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USE smooth_grid_dimensions, &
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ONLY: nrxxs, nr1s, nr2s, nr3s
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USE local_pseudo, ONLY: vps, rhops
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@ -1071,6 +1071,7 @@ MODULE input
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USE cell_base, ONLY: frich
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USE efield_module, ONLY: tefield, efield_info, tefield2, efield_info2
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USE io_global, ONLY: meta_ionode, stdout
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USE time_step, ONLY: delt
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!
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!
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IMPLICIT NONE
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@ -1139,7 +1140,7 @@ MODULE input
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!
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CALL cell_print_info( )
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!
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IF( thdyn .AND. tnoseh ) CALL cell_nose_info()
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IF( thdyn .AND. tnoseh ) CALL cell_nose_info (delt)
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!
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! CALL sic_info() ! maybe useful
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!
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@ -485,6 +485,7 @@ END SUBROUTINE diagonalize_parallel
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CALL mp_max( diff, desc( la_comm_ ) )
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IF( diff < ortho_eps ) EXIT ITERATIVE_LOOP
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!
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@ -1087,7 +1088,7 @@ END SUBROUTINE diagonalize_parallel
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USE uspp, ONLY: nkb, nkbus
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USE uspp_param, ONLY: nh, nvb, ish
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USE gvecw, ONLY: ngw
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USE control_flags, ONLY: iprint, iprsta
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USE control_flags, ONLY: iprsta
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USE mp, ONLY: mp_sum, mp_bcast
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USE mp_global, ONLY: intra_bgrp_comm, leg_ortho, me_bgrp, inter_bgrp_comm
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USE electrons_base, ONLY: nbspx_bgrp, ibgrp_g2l, nbsp, nspin, nupdwn, iupdwn, nbspx
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@ -1300,7 +1301,7 @@ END SUBROUTINE diagonalize_parallel
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USE gvecw, ONLY: ngw
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USE electrons_base, ONLY: nbsp_bgrp, nbsp
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USE constants, ONLY: pi, fpi
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USE control_flags, ONLY: iprint, iprsta
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USE control_flags, ONLY: iprsta
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USE mp, ONLY: mp_sum
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!
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IMPLICIT NONE
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@ -736,7 +736,7 @@
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USE kinds, ONLY: DP
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USE constants, ONLY: fpi
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USE control_flags, ONLY: gamma_only
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USE cell_base, ONLY: tpiba2, boxdimensions
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USE cell_base, ONLY: tpiba2
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USE gvect, ONLY: ngm
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USE gvect, ONLY: gstart, gg
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USE sic_module, ONLY: sic_epsilon, sic_alpha
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@ -17,7 +17,7 @@ SUBROUTINE from_restart( )
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USE electrons_base, ONLY : nspin, iupdwn, nupdwn, f, nbsp, nbsp_bgrp
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USE io_global, ONLY : ionode, ionode_id, stdout
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USE cell_base, ONLY : ainv, h, hold, deth, r_to_s, s_to_r, &
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boxdimensions, velh, at, alat
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velh, at, alat
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USE ions_base, ONLY : na, nsp, iforce, vel_srt, nat, randpos
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USE time_step, ONLY : tps, delt
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USE ions_positions, ONLY : taus, tau0, tausm, taum, vels, fion, fionm, set_velocities
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@ -1012,15 +1012,16 @@ CONTAINS
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end subroutine cell_nose_shiftvar
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SUBROUTINE cell_nose_info()
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SUBROUTINE cell_nose_info ( delt )
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use constants, only: au_terahertz, pi
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use time_step, only: delt
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USE io_global, ONLY: stdout
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USE control_flags, ONLY: tnoseh
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IMPLICIT NONE
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REAL(DP), INTENT (IN) :: delt
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INTEGER :: nsvar
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REAL(DP) :: wnoseh
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