mirror of https://gitlab.com/QEF/q-e.git
212 lines
8.3 KiB
Fortran
212 lines
8.3 KiB
Fortran
!
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! Copyright (C) 2001-2018 Quantum ESPRESSO 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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!---------------------------------------------------------------
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subroutine deallocate_phq
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!----------------------------------------------------------------
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!! Deallocates the variables allocated by \(\texttt{allocate_phq}\).
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!
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USE noncollin_module, ONLY : m_loc
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USE becmod, ONLY: becp, deallocate_bec_type_acc, &
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deallocate_bec_type
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USE wavefunctions, ONLY: evc
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USE ramanm, ONLY: ramtns
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USE modes, ONLY : tmq, t, npert, u, name_rap_mode, num_rap_mode
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USE efield_mod, ONLY : zstareu, zstarue, zstarue0, zstareu0, &
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zstarue0_rec
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USE phus, ONLY : int1, int1_nc, int2, int2_so, &
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int4, int4_nc, int5, int5_so, becsum_nc, &
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becsumort, alphasum, alphasum_nc, &
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alphap
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USE gamma_gamma, ONLY : with_symmetry, has_equivalent, equiv_atoms, &
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n_equiv_atoms
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USE nlcc_ph, ONLY : drc
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USE units_ph, ONLY : this_dvkb3_is_on_file, this_pcxpsi_is_on_file
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USE dynmat, ONLY : dyn00, dyn_rec, dyn, w2, dyn_hub_bare
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USE el_phon, ONLY : el_ph_mat, el_ph_mat_nc_mag
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USE freq_ph, ONLY : polar
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USE lrus, ONLY : int3, int3_nc, int3_paw, becp1, dpqq, dpqq_so
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USE lr_symm_base, ONLY : rtau
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USE gc_lr, ONLY : grho, gmag, dvxc_rr, dvxc_sr, dvxc_ss, dvxc_s, &
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vsgga, segni
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USE qpoint, ONLY : eigqts, ikks, ikqs, nksq, xk_col
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USE eqv, ONLY : dmuxc, vlocq, dpsi, dvpsi, evq
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USE control_lr, ONLY : lgamma, nbnd_occ
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USE ldaU, ONLY : lda_plus_u
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USE ldaU_ph, ONLY : dnsbare_all_modes, dnsorth_cart, dnsorth, dnsbare, &
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wfcatomk, dwfcatomk, sdwfcatomk, &
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wfcatomkpq, dwfcatomkpq, sdwfcatomkpq, &
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dvkb, vkbkpq, dvkbkpq
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USE ldaU_lr, ONLY : swfcatomk, swfcatomkpq
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USE qpoint_aux, ONLY : ikmks, ikmkmqs, becpt, alphapt
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USE lr_nc_mag, ONLY : int1_nc_save, deeq_nc_save
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USE Coul_cut_2D_ph, ONLY : deallocate_2d_arrays
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USE two_chem, ONLY : twochem
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USE klist, ONLY : lgauss
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USE lr_two_chem, ONLY : alphasum_cond, alphasum_cond_nc, becsum_cond_nc, becsumort_cond,becsum_cond
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USE lr_two_chem, ONLY : alphasum_cond, alphasum_cond_nc, becsum_cond_nc, becsumort_cond,becsum_cond
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IMPLICIT NONE
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INTEGER :: ik, ipol
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if(allocated(ramtns)) deallocate (ramtns)
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if (lgamma) then
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if(associated(evq)) nullify(evq)
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else
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!$acc exit data delete(evq)
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if(associated(evq)) deallocate(evq) !why not if allocated?
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end if
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if(allocated(dvpsi)) deallocate (dvpsi)
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if(allocated(dpsi)) deallocate ( dpsi)
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!
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if(allocated(vlocq)) deallocate (vlocq)
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if(allocated(dmuxc)) deallocate (dmuxc)
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!
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if(allocated(ikks)) deallocate (ikks)
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if(allocated(ikqs)) deallocate (ikqs)
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IF(ALLOCATED(ikmks)) DEALLOCATE(ikmks)
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IF(ALLOCATED(ikmkmqs)) DEALLOCATE(ikmkmqs)
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if(allocated(eigqts)) deallocate (eigqts)
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if(allocated(rtau)) deallocate (rtau)
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if(allocated(u)) deallocate (u)
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if(allocated(name_rap_mode)) deallocate (name_rap_mode)
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if(allocated(num_rap_mode)) deallocate (num_rap_mode)
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if(allocated(dyn)) deallocate (dyn)
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if(allocated(dyn_rec)) deallocate (dyn_rec)
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if(allocated(dyn00)) deallocate (dyn00)
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if(allocated(w2)) deallocate (w2)
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if(allocated(xk_col)) deallocate (xk_col)
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if(allocated(polar)) deallocate (polar)
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CALL deallocate_pert()
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if(allocated(npert)) deallocate (npert)
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if(allocated(zstareu)) deallocate (zstareu)
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if(allocated(zstareu0)) deallocate (zstareu0)
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if(allocated(zstarue)) deallocate (zstarue)
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if(allocated(zstarue0)) deallocate (zstarue0)
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if(allocated(zstarue0_rec)) deallocate (zstarue0_rec)
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if(allocated(int1)) deallocate (int1)
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if(allocated(int2)) deallocate (int2)
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if(allocated(int3)) deallocate (int3)
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if(allocated(int3_paw)) deallocate (int3_paw)
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if(allocated(int4)) deallocate (int4)
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if(allocated(int5)) deallocate (int5)
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if(allocated(dpqq)) deallocate (dpqq)
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if(allocated(int1_nc)) deallocate(int1_nc)
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if(allocated(int3_nc)) deallocate(int3_nc)
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if(allocated(int4_nc)) deallocate(int4_nc)
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if(allocated(becsum_nc)) deallocate(becsum_nc)
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if(allocated(becsum_cond)) deallocate(becsum_cond)
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if(allocated(becsum_cond_nc)) deallocate(becsum_cond_nc)
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if(allocated(becsumort)) deallocate(becsumort)
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if(allocated(becsumort_cond)) deallocate(becsumort_cond)
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if(allocated(alphasum_nc)) deallocate(alphasum_nc)
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if(allocated(alphasum_cond_nc)) deallocate(alphasum_cond_nc)
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if(allocated(int2_so)) deallocate(int2_so)
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if(allocated(int5_so)) deallocate(int5_so)
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if(allocated(dpqq_so)) deallocate(dpqq_so)
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IF (ALLOCATED(int1_nc_save)) DEALLOCATE (int1_nc_save)
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IF (ALLOCATED(deeq_nc_save)) DEALLOCATE (deeq_nc_save)
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if(allocated(alphasum)) deallocate (alphasum)
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if(allocated(alphasum_cond)) deallocate (alphasum_cond)
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if(allocated(this_dvkb3_is_on_file)) deallocate (this_dvkb3_is_on_file)
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if(allocated(this_pcxpsi_is_on_file)) deallocate (this_pcxpsi_is_on_file)
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!IF (ALLOCATED(this_pcxpsi_is_on_file_tpw)) DEALLOCATE(this_pcxpsi_is_on_file_tpw) !!! AAA Da definire chi è this_pcxpsi_is_on_file_tpw
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if(allocated(alphap)) then
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do ik=1,nksq
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do ipol=1,3
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call deallocate_bec_type ( alphap(ipol,ik) )
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enddo
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end do
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deallocate (alphap)
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endif
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if(allocated(becp1)) then
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do ik=1,size(becp1)
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call deallocate_bec_type ( becp1(ik) )
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end do
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deallocate(becp1)
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end if
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IF (ALLOCATED(alphapt)) THEN
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DO ik=1,nksq
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DO ipol=1,3
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CALL deallocate_bec_type ( alphapt(ipol,ik) )
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ENDDO
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ENDDO
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DEALLOCATE (alphapt)
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ENDIF
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IF (ALLOCATED(becpt)) THEN
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DO ik=1, nksq
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CALL deallocate_bec_type ( becpt(ik) )
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ENDDO
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DEALLOCATE(becpt)
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ENDIF
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call deallocate_bec_type_acc ( becp )
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if(allocated(el_ph_mat)) deallocate (el_ph_mat)
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if(allocated(el_ph_mat_nc_mag)) deallocate (el_ph_mat_nc_mag)
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if(allocated(m_loc)) deallocate(m_loc)
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if(allocated(drc)) deallocate(drc)
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if(allocated(dvxc_rr)) deallocate (dvxc_rr)
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if(allocated(dvxc_sr)) deallocate (dvxc_sr)
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if(allocated(dvxc_ss)) deallocate (dvxc_ss)
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if(allocated(dvxc_s)) deallocate (dvxc_s)
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if(allocated(grho)) deallocate (grho)
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if(allocated(segni)) deallocate (segni)
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if(allocated(vsgga)) deallocate (vsgga)
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if(allocated(gmag)) deallocate (gmag)
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IF (allocated(has_equivalent)) DEALLOCATE(has_equivalent)
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IF (allocated(with_symmetry)) DEALLOCATE(with_symmetry)
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IF (allocated(n_equiv_atoms)) DEALLOCATE(n_equiv_atoms)
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IF (allocated(equiv_atoms)) DEALLOCATE(equiv_atoms)
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IF (allocated(nbnd_occ)) DEALLOCATE(nbnd_occ)
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! DFPT+U
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IF (lda_plus_u) THEN
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!
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if(allocated(wfcatomk)) deallocate (wfcatomk)
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if(allocated(swfcatomk)) deallocate (swfcatomk)
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if(allocated(dwfcatomk)) deallocate (dwfcatomk)
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if(allocated(sdwfcatomk)) deallocate (sdwfcatomk)
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if(allocated(dvkb)) deallocate (dvkb)
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if(allocated(dnsbare)) deallocate (dnsbare)
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if(allocated(dnsbare_all_modes)) deallocate (dnsbare_all_modes)
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if(allocated(dnsorth)) deallocate (dnsorth)
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if(allocated(dnsorth_cart)) deallocate (dnsorth_cart)
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if(allocated(dyn_hub_bare)) deallocate(dyn_hub_bare)
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!
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IF (lgamma) THEN
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if (associated(wfcatomkpq)) nullify(wfcatomkpq)
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if (associated(swfcatomkpq)) nullify(swfcatomkpq)
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if (associated(dwfcatomkpq)) nullify(dwfcatomkpq)
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if (associated(sdwfcatomkpq)) nullify(sdwfcatomkpq)
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if (associated(vkbkpq)) nullify(vkbkpq)
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if (associated(dvkbkpq)) nullify(dvkbkpq)
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ELSE
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if (associated(wfcatomkpq)) deallocate(wfcatomkpq)
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if (associated(swfcatomkpq)) deallocate(swfcatomkpq)
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if (associated(dwfcatomkpq)) deallocate(dwfcatomkpq)
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if (associated(sdwfcatomkpq)) deallocate(sdwfcatomkpq)
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if (associated(vkbkpq)) deallocate(vkbkpq)
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if (associated(dvkbkpq)) deallocate(dvkbkpq)
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ENDIF
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!
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ENDIF
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call deallocate_2d_arrays ()
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end subroutine deallocate_phq
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