/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | c_bands.f90 | 197 INTEGER :: npw, ig, dav_iter, ntry, notconv, nhpsi local 265 IF ( notconv > MAX( 5, nbnd / 4 ) ) THEN 269 ELSEIF ( notconv > 0 ) THEN 271 WRITE( stdout, '(5X,"c_bands: ",I2, " eigenvalues not converged")' ) notconv 325 ethr, max_cg_iter, .NOT. lscf, notconv, cg_iter ) 378 et(1,ik), btype(1,ik), notconv, lrot, dav_iter, nhpsi ) 385 et(1,ik), btype(1,ik), notconv, lrot, dav_iter, nhpsi ) 490 ethr, max_cg_iter, .NOT. lscf, notconv, cg_iter ) 551 et(1,ik), btype(1,ik), notconv, lrot, dav_iter, nhpsi ) 588 ( ( .NOT. lscf .AND. ( notconv > 0 ) ) .OR. & [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/ParO/ |
H A D | paro_gamma_new.f90 | 43 npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi ) argument 64 INTEGER, INTENT(OUT) :: notconv, nhpsi local 131 notconv = nbnd - nconv ! number of needed roots 132 nextra = nactive - notconv ! number of extra vectors 139 notconv = nbnd - nconv ! number of needed roots 140 nextra = max ( nactive - notconv, 0 ) ! number of extra vectors, if any 209 … = ABS(ew(1:ntrust)-eig(1:ntrust)).LT.ethr ; nconv = COUNT(conv(1:ntrust)) ; notconv = nbnd - nconv
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H A D | paro_k.f90 | 43 npwx, npw, nbnd, npol, evc, eig, btype, ethr, notconv, nhpsi ) argument 63 INTEGER, INTENT(OUT) :: notconv, nhpsi local 105 notconv = nbnd - nconv ! number of needed roots 106 nextra = nactive - notconv ! number of extra vectors 153 …conv(1:nbnd) = ABS(ew(1:nbnd)-eig(1:nbnd)).LT.ethr ; nconv = COUNT(conv(:)) ; notconv = nbnd - nco…
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H A D | paro_gamma.f90 | 43 npwx, npw, nbnd, evc, eig, btype, ethr, notconv, nhpsi ) argument 63 INTEGER, INTENT(OUT) :: notconv, nhpsi local 106 notconv = nbnd - nconv ! number of needed roots 107 nextra = nactive - notconv ! number of extra vectors 155 …conv(1:nbnd) = ABS(ew(1:nbnd)-eig(1:nbnd)).LT.ethr ; nconv = COUNT(conv(:)) ; notconv = nbnd - nco…
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H A D | paro_k_new.f90 | 43 npwx, npw, nbnd, npol, evc, eig, btype, ethr, notconv, nhpsi ) argument 64 INTEGER, INTENT(OUT) :: notconv, nhpsi local 131 notconv = nbnd - nconv ! number of needed roots 132 nextra = nactive - notconv ! number of extra vectors 139 notconv = nbnd - nconv ! number of needed roots 140 nextra = max ( nactive - notconv, 0 ) ! number of extra vectors, if any 208 … = ABS(ew(1:ntrust)-eig(1:ntrust)).LT.ethr ; nconv = COUNT(conv(1:ntrust)) ; notconv = nbnd - nconv
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | hdiag.f90 | 36 INTEGER :: ig, ntry, notconv local 72 max_iter, .true., notconv, cg_iter) 76 if (ntry.le.5.and.notconv.gt.0) goto 10
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/dports/japanese/libslang/slang-1.4.5jp2/src/ |
H A D | slkanji.c | 455 void notconv(char *src, char *dst) in notconv() function 462 {{notconv, notconv, notconv, notconv}, 463 {notconv, notconv, euctojis, euctosjis}, 464 {notconv, jistoeuc, notconv, jistosjis}, 465 {notconv, sjistoeuc, sjistojis, notconv}}; 1150 if (kcodeto == notconv) return _SLsys_getkey(); in kSLsys_getkey() 1300 MAKE_INTRINSIC_SS("sjis_to_slang", notconv, SLANG_VOID_TYPE), 1303 MAKE_INTRINSIC_SS("to_sjis", notconv, SLANG_VOID_TYPE),
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H A D | slkanji.h | 73 extern void notconv(char *, char *);
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/dports/cad/feappv/feappv-4.1i/program/ |
H A D | int1dg.f | 174 logical notconv local 183 notconv = .true. 184 do while(notconv .and. iter.lt.50) 190 notconv = .false.
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/CG/ |
H A D | ccgdiagg.f90 | 16 ethr, maxter, reorder, notconv, avg_iter ) argument 45 INTEGER, INTENT(OUT) :: notconv local 97 notconv = 0 337 IF ( iter >= maxter ) notconv = notconv + 1
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H A D | rcgdiagg.f90 | 12 ethr, maxter, reorder, notconv, avg_iter ) argument 41 INTEGER, INTENT(OUT) :: notconv local 85 notconv = 0 346 IF ( iter >= maxter ) notconv = notconv + 1
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/dports/japanese/jed/jed-B0.99-8__J067/src/ |
H A D | kanji.c | 468 notconv(buf, dst); 470 notconv(buf, dst); 526 notconv(buf, dst); 552 notconv(buf, dst); 556 notconv(buf, dst);
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
H A D | diago_cg.f90 | 59 INTEGER :: notconv local 89 notconv = 0 482 IF ( iter >= maxter ) notconv = notconv + 1
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H A D | diago_cg_g.f90 | 60 INTEGER :: notconv local 90 notconv = 0 434 IF ( iter >= maxter ) notconv = notconv + 1
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H A D | o_bands.f90 | 49 INTEGER :: notconv local 144 … ethr, 100, .true., notconv, avg_iter, numv, v_states,hdiag,ptype,fcw_number,fcw_state,fcw_mat) 146 if(notconv <= 0) exit 159 if(notconv <= 0) exit
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H A D | o_1psi.f90 | 13 ethr, maxter, reorder, notconv, avg_iter ,& argument 39 INTEGER, INTENT(OUT) :: notconv local 88 notconv = 0 349 IF ( iter >= maxter ) notconv = notconv + 1
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/dports/science/quantum-espresso/q-e-qe-6.7.0/KS_Solvers/PPCG/ |
H A D | ppcg_k.f90 | 4 ethr, maxter, notconv, avg_iter, sbsize, rr_step, scf_iter) argument 35 INTEGER, INTENT(OUT) :: notconv local 756 notconv = 0 ! nact 760 WRITE(stdout, '("avg_iter: ", f6.2, ", notconv: ", I5)') avg_iter, notconv
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H A D | ppcg_gamma.f90 | 4 ethr, maxter, notconv, avg_iter, sbsize, rr_step, scf_iter) argument 38 INTEGER, INTENT(OUT) :: notconv local 792 notconv = 0 ! nact 796 WRITE(stdout, '("avg_iter: ", f6.2, ", notconv: ", I5)') avg_iter, notconv
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