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Searched refs:dfftt (Results 1 – 11 of 11) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_exx_kernel.f90112 nrxxs= dfftt%nnr
186 nrxxs= dfftt%nnr
458 revc_int(1:dfftt%nnr,:)= revc_int(1:dfftt%nnr,:) &
690 revc_int(1:dfftt%nnr,:)= revc_int(1:dfftt%nnr,:)&
700 revc_int(1:dfftt%nnr,:)= revc_int(1:dfftt%nnr,:)&
830 ngm_=dfftt%ngm
831 nnr_=dfftt%nnr
1162 nnr_ = dfftt%nnr
1163 ngm_ = dfftt%ngm
1406 fp = (psic(dfftt%nl(j)) + psic(dfftt%nlm(j)))*0.5d0
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Dfft_custom.f90218 fc%dfftt%rho_clock_label = 'fftc' ; fc%dfftt%wave_clock_label = 'fftcw'
223 fc%nrx1t = fc%dfftt%nr1x
224 fc%nrx2t = fc%dfftt%nr2x
225 fc%nrx3t = fc%dfftt%nr3x
226 write(stdout,*) fc%dfftt%nr1x,fc%dfftt%nr2x,fc%dfftt%nr3x
227 write(stdout,*) fc%dfftt%nr1,fc%dfftt%nr2,fc%dfftt%nr3
254 WRITE( stdout,'(5x,i4,1x,i5,i7,i9)') i, fc%dfftt%nr3p(i), fc%dfftt%nsp(i), fc%dfftt%ngl(i)
258 … sum(fc%dfftt%nr3p(1:nproc_pool)), sum(fc%dfftt%nsp(1:nproc_pool)), sum(fc%dfftt%ngl(1:nproc_pool))
262 fc%nrxxt = fc%dfftt%nnr
275 fc%dfftt%rho_clock_label = 'fftc' ; fc%dfftt%wave_clock_label = 'fftcw'
[all …]
H A Dexchange_custom.f90122 rz_end=rz_end+exx_cus%fft_g2r%dfftt%nr3p(ii)
143 k=k+exx_cus%fft_small%dfftt%nr3p(ii)
151 k=k+exx_cus%fft_g2r%dfftt%nr3p(ii)
865 rz_end=rz_end+exx_cus%fft_g2r%dfftt%nr3p(ii)
872 rz_end_s=rz_end_s+fft_small%dfftt%nr3p(ii)
883 k=k+fft_small%dfftt%nr3p(ii)
891 k=k+exx_cus%fft_g2r%dfftt%nr3p(ii)
898 do iz=1,exx_cus%fft_g2r%dfftt%nr3p(me_pool+1)
1230 do iz=1,exx_cus%fft_g2r%dfftt%my_nr3p
1342 k=k+exx_cus%fft_small%dfftt%nr3p(ii)
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dexx.f90218 dfftt%rho_clock_label = 'fftc' ; dfftt%wave_clock_label = 'fftcw'
222 & dfftt%nr1, dfftt%nr2, dfftt%nr3
407 nxxs = dfftt%nr1x * dfftt%nr2x * dfftt%nr3x
434 IF (.NOT. gamma_only) CALL exx_set_symm( dfftt%nr1, dfftt%nr2, dfftt%nr3, &
435 dfftt%nr1x, dfftt%nr2x, dfftt%nr3x )
3485 vc(dfftt%nl(ig)) = fac(ig) * rhoc(dfftt%nl(ig))
3486 vc(dfftt%nlm(ig)) = fac(ig) * rhoc(dfftt%nlm(ig))
3621 vol = omega / DBLE(dfftt%nr1 * dfftt%nr2 * dfftt%nr3)
3629 DO ir = 1, dfftt%nr1x*dfftt%my_nr2p*dfftt%my_nr3p
3720 vol = omega / DBLE(dfftt%nr1 * dfftt%nr2 * dfftt%nr3)
[all …]
H A Dloc_scdm.f90356 nxxs = dfftt%nr1x *dfftt%nr2x *dfftt%nr3x
400 allocate( den(dfftt%nnr), grad_den(3, dfftt%nnr) )
482 ir_end = dfftt%nr1x*dfftt%my_nr2p*dfftt%my_nr3p
484 ir_end = dfftt%nnr
486 nxtot = dfftt%nr1x *dfftt%nr2x *dfftt%nr3x
487 nxxs = dfftt%nnr
598 ir_end = dfftt%nr1x*dfftt%my_nr2p*dfftt%my_nr3p
600 ir_end = dfftt%nnr
638 REAL(DP), INTENT(IN) :: den(dfftt%nnr), grad_den(3, dfftt%nnr)
647 ir_end = dfftt%nr1x*dfftt%my_nr2p*dfftt%my_nr3p
[all …]
H A Dus_exx.f90219 ngms = dfftt%ngm
373 COMPLEX(DP), INTENT(IN) :: vc(dfftt%nnr)
398 ngms = dfftt%ngm
432 fp = (vc(dfftt%nl(ig)) + vc(dfftt%nlm(ig)))/2.0_dp
433 fm = (vc(dfftt%nl(ig)) - vc(dfftt%nlm(ig)))/2.0_dp
439 fp = (vc(dfftt%nl(ig)) + vc(dfftt%nlm(ig)))/2.0_dp
440 fm = (vc(dfftt%nl(ig)) - vc(dfftt%nlm(ig)))/2.0_dp
707 domega = omega/(dfftt%nr1 *dfftt%nr2 *dfftt%nr3)
1135 ALLOCATE( phi(dfftt%nnr) )
1164 fp = (phi(dfftt%nl(j)) + phi(dfftt%nlm(j)))*0.5d0
[all …]
H A Dloc_scdm_k.f9021 USE exx, ONLY : dfftt, exxbuff, exxmat
63 NGrid = dfftt%nnr * npol
191 dfftt%nnr*npol, ibnd, ibnd )
260 CALL fwfft( 'Wave' , buffer, dfftt )
263 GorbtJ(ig,jbnd) = buffer(dfftt%nl(igk_exx(ig,kk)))
269 CALL fwfft( 'Wave' , buffer, dfftt )
420 ALLOCATE( den(dfftt%nnr), grad_den(3, dfftt%nnr) )
499 REAL(DP), INTENT(IN) :: den(dfftt%nnr)
500 REAL(DP), INTENT(IN) :: grad_den(3,dfftt%nnr)
513 ir_end = dfftt%nr1x*dfftt%my_nr2p*dfftt%my_nr3p
[all …]
H A Drun_pwscf.f90353 USE exx, ONLY : dfftt, exx_fft_create, deallocate_exx
363 dfftt%nr1=0; dfftt%nr2=0; dfftt%nr3=0
364 CALL fft_type_deallocate( dfftt ) ! FIXME: is this needed?
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/
H A Dabsorption.f9076 ikstart=ikstart+fc%dfftt%nr3p(ii)
81 iktotal=iktotal+fc%dfftt%nr3p(ii)
H A Dplot_excwfn.f9077 nr3s_end=nr3s_end+fc%dfftt%nr3p(ii)
136 do iplane=1,fc%dfftt%my_nr3p
/dports/science/quantum-espresso/q-e-qe-6.7.0/Doc/
H A Drelease-notes368 FFT descriptor dfftt and a few variables used instead