mirror of https://gitlab.com/QEF/q-e.git
144 lines
5.2 KiB
Fortran
144 lines
5.2 KiB
Fortran
!
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! Copyright (C) 2001-2003 PWSCF group
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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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SUBROUTINE clean_pw( lflag )
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!----------------------------------------------------------------------
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!
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! ... This routine deallocates all dynamically allocated arrays
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!
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USE ions_base, ONLY : deallocate_ions_base
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USE gvect, ONLY : g, gg, nl, nlm, igtongl, ig1, ig2, ig3, &
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eigts1, eigts2, eigts3
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USE gsmooth, ONLY : nls, nlsm, doublegrid
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USE ktetra, ONLY : tetra
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USE reciprocal_vectors, ONLY : ig_l2g
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USE symme, ONLY : irt
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USE vlocal, ONLY : strf, vloc, vnew
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USE wvfct, ONLY : igk, igk_l2g, g2kin, et, wg, gamma_only
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USE force_mod, ONLY : force
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USE scf, ONLY : rho, vr, vltot, rho_core, vrs
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USE wavefunctions_module, ONLY : evc, psic, evc_nc, psic_nc
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USE us, ONLY : qrad, tab, tab_at
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USE uspp, ONLY : deallocate_uspp
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USE ldaU, ONLY : ns, nsnew, swfcatom
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USE extfield, ONLY : forcefield
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USE sticks, ONLY : dfftp, dffts
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USE stick_base, ONLY : sticks_deallocate
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! USE berry_phase, ONLY : berry_closeup
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USE fft_types, ONLY : fft_dlay_deallocate
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USE spin_orb, ONLY : lspinorb, fcoef
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USE noncollin_module, ONLY : deallocate_noncol
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USE dynamics_module, ONLY : deallocate_dyn_vars
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!
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IMPLICIT NONE
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!
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LOGICAL, INTENT(IN) :: lflag
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! if .TRUE. deallocate_ions_base is called
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! ( for instance neb and smd do not call it )
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!
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!
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! ... arrays allocated in input.f90, read_file.f90 or setup.f90
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!
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IF ( lflag ) THEN
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!
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CALL deallocate_ions_base()
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!
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IF ( ALLOCATED( force ) ) DEALLOCATE( force )
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IF ( ALLOCATED( forcefield ) ) DEALLOCATE( forcefield )
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!
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END IF
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!
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IF ( ALLOCATED( tetra ) ) DEALLOCATE( tetra )
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IF ( ALLOCATED( irt ) ) DEALLOCATE( irt )
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!
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! ... arrays allocated in ggen.f90
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!
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IF ( ALLOCATED( ig_l2g ) ) DEALLOCATE( ig_l2g )
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!
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! ... arrays allocated in allocate_fft.f90 ( and never deallocated )
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!
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IF ( ALLOCATED( g ) ) DEALLOCATE( g )
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IF ( ALLOCATED( gg ) ) DEALLOCATE( gg )
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IF ( ALLOCATED( nl ) ) DEALLOCATE( nl )
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IF ( gamma_only ) THEN
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IF ( ALLOCATED( nlm ) ) DEALLOCATE( nlm )
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END IF
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IF ( ALLOCATED( igtongl ) ) DEALLOCATE( igtongl )
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IF ( ALLOCATED( ig1 ) ) DEALLOCATE( ig1 )
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IF ( ALLOCATED( ig2 ) ) DEALLOCATE( ig2 )
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IF ( ALLOCATED( ig3 ) ) DEALLOCATE( ig3 )
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IF ( ALLOCATED( rho ) ) DEALLOCATE( rho )
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IF ( ALLOCATED( vr ) ) DEALLOCATE( vr )
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IF ( ALLOCATED( vltot ) ) DEALLOCATE( vltot )
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IF ( ALLOCATED( vnew ) ) DEALLOCATE( vnew )
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IF ( ALLOCATED( rho_core ) ) DEALLOCATE( rho_core )
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IF ( ALLOCATED( psic ) ) DEALLOCATE( psic )
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IF ( ALLOCATED( psic_nc ) ) DEALLOCATE( psic_nc )
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IF ( ALLOCATED( vrs ) ) DEALLOCATE( vrs )
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IF ( doublegrid ) THEN
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IF ( ASSOCIATED( nls ) ) DEALLOCATE( nls )
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END IF
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IF ( doublegrid .AND. gamma_only ) THEN
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IF ( ASSOCIATED( nlsm )) DEALLOCATE( nlsm )
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END IF
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!
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! ... arrays allocated in allocate_locpot.f90 ( and never deallocated )
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!
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IF ( ALLOCATED( vloc ) ) DEALLOCATE( vloc )
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IF ( ALLOCATED( strf ) ) DEALLOCATE( strf )
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IF ( ALLOCATED( eigts1 ) ) DEALLOCATE( eigts1 )
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IF ( ALLOCATED( eigts2 ) ) DEALLOCATE( eigts2 )
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IF ( ALLOCATED( eigts3 ) ) DEALLOCATE( eigts3 )
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!
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! ... arrays allocated in allocate_nlpot.f90 ( and never deallocated )
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!
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IF ( ALLOCATED( igk ) ) DEALLOCATE( igk )
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IF ( ALLOCATED( igk_l2g ) ) DEALLOCATE( igk_l2g )
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IF ( ALLOCATED( g2kin ) ) DEALLOCATE( g2kin )
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IF ( ALLOCATED( qrad ) ) DEALLOCATE( qrad )
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IF ( ALLOCATED( ns ) ) DEALLOCATE( ns )
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IF ( ALLOCATED( nsnew ) ) DEALLOCATE( nsnew )
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IF ( ALLOCATED( tab ) ) DEALLOCATE( tab )
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IF ( ALLOCATED( tab_at ) ) DEALLOCATE( tab_at )
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IF ( lspinorb ) THEN
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IF ( ALLOCATED( fcoef ) ) DEALLOCATE( fcoef )
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END IF
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!
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CALL deallocate_uspp()
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!
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CALL deallocate_noncol()
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!
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! ... arrays allocated in allocate_wfc.f90 ( and never deallocated )
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!
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IF ( ALLOCATED( et ) ) DEALLOCATE( et )
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IF ( ALLOCATED( wg ) ) DEALLOCATE( wg )
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IF ( ALLOCATED( evc ) ) DEALLOCATE( evc )
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IF ( ALLOCATED( swfcatom ) ) DEALLOCATE( swfcatom )
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IF ( ALLOCATED( evc_nc ) ) DEALLOCATE( evc_nc )
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!
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! ... fft structures allocated in data_structure.f90
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!
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CALL fft_dlay_deallocate( dfftp )
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CALL fft_dlay_deallocate( dffts )
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!
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! ... stick-owner matrix allocated in sticks_base
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!
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CALL sticks_deallocate()
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!
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! ... arrays allocated for dynamics
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!
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CALL deallocate_dyn_vars()
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!
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! ... deallocate indices used in calculation of polarizability at gamma
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!
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! CALL berry_closeup()
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!
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RETURN
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!
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END SUBROUTINE clean_pw
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