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 D | lr_exx_kernel.f90 | 112 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 …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | fft_custom.f90 | 218 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 …]
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H A D | exchange_custom.f90 | 122 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 …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | exx.f90 | 218 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 …]
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H A D | loc_scdm.f90 | 356 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 …]
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H A D | us_exx.f90 | 219 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 …]
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H A D | loc_scdm_k.f90 | 21 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 …]
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H A D | run_pwscf.f90 | 353 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?
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/ |
H A D | absorption.f90 | 76 ikstart=ikstart+fc%dfftt%nr3p(ii) 81 iktotal=iktotal+fc%dfftt%nr3p(ii)
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H A D | plot_excwfn.f90 | 77 nr3s_end=nr3s_end+fc%dfftt%nr3p(ii) 136 do iplane=1,fc%dfftt%my_nr3p
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Doc/ |
H A D | release-notes | 368 FFT descriptor dfftt and a few variables used instead
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