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quantum-espresso
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First batch of alpha compilation problems 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2497 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2005-11-21 17:30:07 +00:00
parent d9d3bed97a
commit 039537519a
9 changed files with 22 additions and 25 deletions
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1
CPV/cg_sub.f90
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@ -74,7 +74,6 @@
use efield_module, only: tefield, evalue, ctable, qmat, detq, ipolp, &
berry_energy, ctabin, gqq, gqqm, df, pberryel
use mp, only: mp_sum
USE io_global, ONLY: ionode, stdout
!
implicit none
!

4
CPV/cp_restart.f90
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@ -737,8 +737,8 @@ MODULE cp_restart
USE cell_base, ONLY : ibrav, alat, celldm, symm_type, &
s_to_r, r_to_s
USE ions_base, ONLY : nsp, nat, na, atm, zv, pmass, &
sort_tau, atm, ityp, ions_cofmass
USE reciprocal_vectors, ONLY : ngwt, ngw, ig_l2g, mill_l
sort_tau, ityp, ions_cofmass
USE reciprocal_vectors, ONLY : ig_l2g, mill_l
USE mp, ONLY : mp_sum
USE parameters, ONLY : nhclm, ntypx
USE constants, ONLY : eps8, angstrom_au

1
CPV/input.f90
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@ -845,7 +845,6 @@ MODULE input
refg, greash, grease, greasp, epol, efield, tcg, maxiter, etresh, &
passop
!
USE input_parameters, ONLY : nconstr_inp
USE input_parameters, ONLY : wf_efield, wf_switch, sw_len, efx0, efy0, &
efz0, efx1, efy1, efz1, wfsd, wfdt, maxwfdt, &
wf_q, wf_friction, nit, nsd, nsteps, tolw, &

6
CPV/nl_base.f90
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@ -109,7 +109,7 @@
! input : beta(ig,l,is), eigr, c
! output: becp as parameter
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE mp, ONLY : mp_sum
USE mp_global, ONLY : nproc
USE ions_base, only : na, nax, nat
@ -227,7 +227,7 @@
! output: becdr
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
use ions_base, only : nax, nsp, na, nat
use uspp, only : nhtol, beta !, nkb
use cvan, only : ish
@ -533,7 +533,7 @@ SUBROUTINE caldbec( ngw, nkb, n, nspmn, nspmx, eigr, c, dbec, tred )
!
! routine makes use of c(-g)=c*(g) and beta(-g)=beta*(g)
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
use mp, only : mp_sum
use mp_global, only : nproc
use ions_base, only : na, nax, nat

4
CPV/phasefactor.f90
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@ -60,7 +60,7 @@
! END manual
USE kinds, ONLY: DP, DP
USE kinds, ONLY: DP
USE constants, ONLY: tpi
! ... declare subroutine arguments
@ -178,7 +178,7 @@
! ----------------------------------------------
! END manual
USE kinds, ONLY: DP, DP
USE kinds, ONLY: DP
USE ions_base, ONLY: nat, na, nsp
use grid_dimensions, only: nr1, nr2, nr3

1
CPV/restart.f90
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@ -137,7 +137,6 @@
USE ions_base, ONLY : nsp, na, cdmi, taui
USE cp_restart, ONLY : cp_readfile, cp_read_cell, cp_read_wfc
USE ensemble_dft, ONLY : tens
USE io_files, ONLY : scradir
USE autopilot, ONLY : event_step, event_index, max_event_step
USE autopilot, ONLY : employ_rules
!

2
CPV/wannier.f90
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@ -185,7 +185,7 @@ END MODULE electric_field_module
MODULE wannier_subroutines
!--------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
!
IMPLICIT NONE

26
CPV/wf.f90
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@ -1258,7 +1258,7 @@ SUBROUTINE ddyn( m, Omat, Umat, b1, b2, b3 )
! ... obtain the wannier function at time(t+delta). It also updates the
! ... quantities bec and becdr
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE wannier_base, ONLY : wf_friction, nsteps, tolw, adapt, wf_q, &
weight, nw, wfdt
@ -1522,7 +1522,7 @@ SUBROUTINE wfunc_init( clwf, b1, b2, b3, ibrav )
!----------------------------------------------------------------------------
!
USE io_global, ONLY : stdout
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE reciprocal_vectors, ONLY : gx, mill_l, gstart
USE gvecw, ONLY : ngw
USE electrons_base, ONLY : nbsp
@ -2514,7 +2514,7 @@ END SUBROUTINE wfunc_init
SUBROUTINE grid_map()
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE efcalc, ONLY : xdist, ydist, zdist
USE smooth_grid_dimensions, ONLY : nnrsx, nr1s, nr2s, nr3s, &
nr1sx, nr2sx, nr3sx
@ -2562,7 +2562,7 @@ SUBROUTINE tric_wts( rp1, rp2, rp3, alat, wts )
! ... R.P. translations in the WF calculation in the case
! ... of ibrav=0 or ibrav=14
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE constants, ONLY : pi
USE cell_base, ONLY : tpiba, tpiba2
!
@ -2647,7 +2647,7 @@ END SUBROUTINE tric_wts
SUBROUTINE small_box_wf( i_1, j_1, k_1, nw1 )
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE constants, ONLY : fpi
USE wannier_base, ONLY : expo
@ -2700,7 +2700,7 @@ FUNCTION boxdotgridcplx(irb,qv,vr)
!
! use ion_parameters
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE grid_dimensions, ONLY : nnrx, nr1, nr2, nr3, nr1x, nr2x, nr3x
USE smallbox_grid_dimensions, ONLY : nnrbx, nr1b, nr2b, nr3b, &
nr1bx, nr2bx, nr3bx
@ -2748,7 +2748,7 @@ END FUNCTION boxdotgridcplx
SUBROUTINE write_rho_g( rhog )
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE gvecp, ONLY : ngm
USE reciprocal_vectors, ONLY : gx, mill_l
@ -2895,7 +2895,7 @@ END SUBROUTINE write_rho_g
SUBROUTINE macroscopic_average( rhog, tau0, e_tuned )
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE reciprocal_vectors, ONLY : gx
USE gvecp, ONLY : ngm
USE electrons_base, ONLY : nspin
@ -3157,7 +3157,7 @@ END SUBROUTINE macroscopic_average
SUBROUTINE least_square( npts, x, y, slope, intercept )
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
!
IMPLICIT NONE
!
@ -3195,7 +3195,7 @@ END SUBROUTINE least_square
SUBROUTINE wfsteep( m, Omat, Umat, b1, b2, b3 )
!----------------------------------------------------------------------------
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE wannier_base, ONLY : nw, weight, nit, tolw, wfdt, maxwfdt, nsd
USE control_flags, ONLY : iprsta
@ -3562,7 +3562,7 @@ SUBROUTINE dforce_field( bec, deeq, betae, i, c, ca, df, da, v, v1 )
! ... sum_i,ij d^q_i,ij (-i)**l beta_i,i(g)
! ... e^-ig.r_i < beta_i,j | c_n > }
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE control_flags, ONLY : iprint, tbuff
USE gvecs, ONLY : nms, nps
USE gvecw, ONLY : ngw
@ -3715,7 +3715,7 @@ SUBROUTINE write_psi( c, jw )
! ... for calwf 5 - M.S
! ... collect wavefunctions on first node and write to file
!
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE io_global, ONLY : stdout
USE gvecs, ONLY : nps
USE electrons_base, ONLY : nbspx
@ -3858,7 +3858,7 @@ SUBROUTINE rhoiofr( nfi, c, irb, eigrb, bec, &
! e_v = sum_i,ij rho_i,ij d^ion_is,ji
!
USE constants, ONLY : bohr_radius_angs
USE kinds, ONLY : DP, dp
USE kinds, ONLY : DP
USE control_flags, ONLY : iprint, tbuff, iprsta, thdyn, tpre, trhor
USE ions_base, ONLY : nax, nat, nsp, na
USE cell_base, ONLY : a1, a2, a3

2
PW/restart.f90
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@ -559,7 +559,7 @@ MODULE restart_module
USE constants, ONLY : pi
USE io_files, ONLY : iunwfc, nwordwfc, prefix, tmp_dir
USE kinds, ONLY : DP
USE ions_base, ONLY : nat, nsp => nsp, ityp, tau, zv, atm
USE ions_base, ONLY : nat, nsp, ityp, tau, zv, atm
USE basis, ONLY : natomwfc
USE cell_base, ONLY : at, bg, ibrav, celldm, alat, tpiba, tpiba2, &
omega, symm_type