/dports/science/nwchem-data/nwchem-7.0.2-release/src/ccsd/ |
H A D | ccsd_tzinta.F | 28 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 29 call ga_get(g_nt2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 31 call ga_get(g_nz2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 55 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 56 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 65 call ga_put(g_tmp,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 84 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 85 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 87 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 89 call ga_put(g_tmp,ad1+1,ad1+nvir,ad2+1,ad2+nvir, [all …]
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H A D | ccsd_itm.F | 72 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 309 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 335 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 357 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 383 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 498 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 520 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 543 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 568 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 589 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_zsig2.F | 64 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 65 call ga_get(g_nexch,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 97 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 145 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 164 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 180 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 229 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 297 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 321 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 374 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_idx2.F | 82 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,bufb(1,tid),nfik) 91 call ga_acc(g_c,ad1+1+(jj-1)*nact,ad1+nact*jj,ad2+1,ad2+nocc, 96 call ga_acc(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc,bufb(1,tid), 112 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc, 123 call ga_acc(g_c,ad1+1+(jj-1)*nact,ad1+nact*jj,ad2+1,ad2+nocc, 180 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,scrb,nfik) 186 call util_gacc_strips(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc, 189 call ga_acc(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc,scrb, 203 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,scrb,nfik) 209 call util_gacc_strips(g_c,ad1+1,ad1+nact*nfk,ad2+1,ad2+nocc, [all …]
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H A D | ccsd_itm_omp.F | 185 call ga_get(g_nexch,ad2+1,ad2+nact,ad1+1,ad1+nact, 395 call ga_acc(g_nht2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 467 call ga_acc(g_nht2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 496 if (ad2+1.ge.g_jlo_nt2.and.ad2+1.le.g_jhi_nt2)then 499 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 555 if (ad2+1.ge.g_jlo_nt2.and.ad2+1.le.g_jhi_nt2)then 557 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 587 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 749 if (ad2+1.ge.g_jlo_nt2.and.ad2+1.le.g_jhi_nt2)then 751 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, [all …]
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H A D | ccsd_idx34.F | 66 ad2=(ii-1)*nocc+jj 67 if (ad2.ge.g_ilo.and.ad2.le.g_ihi)then 69 call ga_get(g_x,1,nbf*nbf,ad2,ad2,bufa(1,tid),nbf*nbf) 93 call ga_put(g_x,1,nact*nact,ad2,ad2,bufb(1,tid),nact*nact) 94 call ga_get(g_c,1,nact*nbf,ad2,ad2,bufa(1,tid),nact*nbf) 99 call ga_put(g_c,1,nact*nact,ad2,ad2,bufb(1,tid),nact*nact) 141 if (ad2.ge.g_ilo.and.ad2.le.g_ihi)then 142 call ga_get(g_x,1,nbf*nbf,ad2,ad2,scra,nbf*nbf) 162 call ga_put(g_x,1,nact*nact,ad2,ad2,scrb,nact*nact) 163 call ga_get(g_c,1,nact*nbf,ad2,ad2,scra,nact*nbf) [all …]
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H A D | ccsd_zsig1.F | 70 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 92 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 93 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 162 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 195 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 228 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 287 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 352 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 371 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 389 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_rdtrpo.F | 11 integer i,j,k,a,av,bv,ad1,ad2,lbfo 56 ad2=lnovv+(av-1)*lnoo 57 call ga_put(g_objo,ad2+1,ad2+lnoo,i,i,buf2,lnoo) 60 ad2=lnovv+lnoov+(av-1)*lnoo 61 call ga_put(g_objo,ad2+1,ad2+lnoo,i,i,buf1(ad1),lnoo) 71 buf2(ad1)=buf1(ad2) 83 buf2(ad1)=buf1(ad2) 93 buf2(ad1)=buf1(ad2) 119 ad2=(av-1)*lnov 120 call ga_put(g_objo,ad2+1,ad2+lnov,i,i,buf2,lnov) [all …]
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H A D | ccsd_tzintb.F | 37 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 38 call ga_get(g_tmp,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 77 call ga_get(g_nexch,ad2+1,ad2+nocc,ad1+1,ad1+nocc, 121 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 122 call ga_get(g_ncoul,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 124 call ga_get(g_nexch,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 182 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 190 call ga_get(g_nt2,ad4+1,ad4+nvir,ad2+1,ad2+nvir, 204 call ga_acc(g_qitm,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 217 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_zvecs.F | 68 ad2=(j-1)*nvir+b 85 ad2=(j-1)*nvir 86 if (ad2+1.ge.jlo.and.ad2+1.le.jhi)then 87 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 96 call ga_put(g_nz2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 114 ad2=(j-1)*nvir 115 if (ad2+1.ge.jlo.and.ad2+1.le.jhi)then 116 call ga_get(g_nhz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 118 call ga_get(g_nhz2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 127 call ga_put(g_nhz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, [all …]
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H A D | ccsd_aosig.F | 65 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 66 call ga_get(g_tz1,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 94 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 95 call ga_get(g_tz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 132 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 133 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 232 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 233 call ga_get(g_tmp4,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 299 call ga_get(g_tmp,ad1+1,ad1+nbf,ad2+1,ad2+nbf, 320 call ga_get(g_tmp2,ad1+1,ad1+nbf,ad2+1,ad2+nbf, [all …]
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H A D | ccsd_sortmo.F | 11 integer ihi,ilo,jhi,jlo,ij,i,j,ad1,ad2 27 ad2=(j-1)*nact 29 call ga_put(g_ncoul,ad2+1,ad2+nact,ad1+1,ad1+nact, 32 call ga_put(g_ncoul,ad1+1,ad1+nact,ad2+1,ad2+nact, 36 call ga_put(g_nexch,ad2+1,ad2+nact,ad1+1,ad1+nact, 39 call ga_put(g_nexch,ad1+1,ad1+nact,ad2+1,ad2+nact,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ccsd/ |
H A D | ccsd_tzinta.F | 28 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 29 call ga_get(g_nt2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 31 call ga_get(g_nz2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 55 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 56 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 65 call ga_put(g_tmp,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 84 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 85 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 87 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 89 call ga_put(g_tmp,ad1+1,ad1+nvir,ad2+1,ad2+nvir, [all …]
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H A D | ccsd_itm.F | 72 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 309 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 335 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 357 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 383 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 498 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 520 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 543 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 568 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 589 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_zsig2.F | 64 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 65 call ga_get(g_nexch,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 97 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 145 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 164 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 180 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 229 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 297 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 321 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 374 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_idx2.F | 82 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,bufb(1,tid),nfik) 91 call ga_acc(g_c,ad1+1+(jj-1)*nact,ad1+nact*jj,ad2+1,ad2+nocc, 96 call ga_acc(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc,bufb(1,tid), 112 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc, 123 call ga_acc(g_c,ad1+1+(jj-1)*nact,ad1+nact*jj,ad2+1,ad2+nocc, 180 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,scrb,nfik) 186 call util_gacc_strips(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc, 189 call ga_acc(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc,scrb, 203 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,scrb,nfik) 209 call util_gacc_strips(g_c,ad1+1,ad1+nact*nfk,ad2+1,ad2+nocc, [all …]
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H A D | ccsd_itm_omp.F | 185 call ga_get(g_nexch,ad2+1,ad2+nact,ad1+1,ad1+nact, 395 call ga_acc(g_nht2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 467 call ga_acc(g_nht2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 496 if (ad2+1.ge.g_jlo_nt2.and.ad2+1.le.g_jhi_nt2)then 499 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 555 if (ad2+1.ge.g_jlo_nt2.and.ad2+1.le.g_jhi_nt2)then 557 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 587 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 749 if (ad2+1.ge.g_jlo_nt2.and.ad2+1.le.g_jhi_nt2)then 751 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, [all …]
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H A D | ccsd_idx34.F | 66 ad2=(ii-1)*nocc+jj 67 if (ad2.ge.g_ilo.and.ad2.le.g_ihi)then 69 call ga_get(g_x,1,nbf*nbf,ad2,ad2,bufa(1,tid),nbf*nbf) 93 call ga_put(g_x,1,nact*nact,ad2,ad2,bufb(1,tid),nact*nact) 94 call ga_get(g_c,1,nact*nbf,ad2,ad2,bufa(1,tid),nact*nbf) 99 call ga_put(g_c,1,nact*nact,ad2,ad2,bufb(1,tid),nact*nact) 141 if (ad2.ge.g_ilo.and.ad2.le.g_ihi)then 142 call ga_get(g_x,1,nbf*nbf,ad2,ad2,scra,nbf*nbf) 162 call ga_put(g_x,1,nact*nact,ad2,ad2,scrb,nact*nact) 163 call ga_get(g_c,1,nact*nbf,ad2,ad2,scra,nact*nbf) [all …]
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H A D | ccsd_zsig1.F | 70 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 92 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 93 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 162 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 195 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 228 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 287 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 352 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 371 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 389 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_rdtrpo.F | 11 integer i,j,k,a,av,bv,ad1,ad2,lbfo 56 ad2=lnovv+(av-1)*lnoo 57 call ga_put(g_objo,ad2+1,ad2+lnoo,i,i,buf2,lnoo) 60 ad2=lnovv+lnoov+(av-1)*lnoo 61 call ga_put(g_objo,ad2+1,ad2+lnoo,i,i,buf1(ad1),lnoo) 71 buf2(ad1)=buf1(ad2) 83 buf2(ad1)=buf1(ad2) 93 buf2(ad1)=buf1(ad2) 119 ad2=(av-1)*lnov 120 call ga_put(g_objo,ad2+1,ad2+lnov,i,i,buf2,lnov) [all …]
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H A D | ccsd_tzintb.F | 37 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 38 call ga_get(g_tmp,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 77 call ga_get(g_nexch,ad2+1,ad2+nocc,ad1+1,ad1+nocc, 121 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 122 call ga_get(g_ncoul,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 124 call ga_get(g_nexch,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 182 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 190 call ga_get(g_nt2,ad4+1,ad4+nvir,ad2+1,ad2+nvir, 204 call ga_acc(g_qitm,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 217 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then [all …]
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H A D | ccsd_zvecs.F | 68 ad2=(j-1)*nvir+b 85 ad2=(j-1)*nvir 86 if (ad2+1.ge.jlo.and.ad2+1.le.jhi)then 87 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 96 call ga_put(g_nz2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 114 ad2=(j-1)*nvir 115 if (ad2+1.ge.jlo.and.ad2+1.le.jhi)then 116 call ga_get(g_nhz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 118 call ga_get(g_nhz2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 127 call ga_put(g_nhz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, [all …]
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H A D | ccsd_aosig.F | 65 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 66 call ga_get(g_tz1,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 94 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 95 call ga_get(g_tz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 132 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 133 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 232 if (ad2+1.ge.g_jlo.and.ad2+1.le.g_jhi)then 233 call ga_get(g_tmp4,ad2+1,ad2+nbf,ad1+1,ad1+nbf, 299 call ga_get(g_tmp,ad1+1,ad1+nbf,ad2+1,ad2+nbf, 320 call ga_get(g_tmp2,ad1+1,ad1+nbf,ad2+1,ad2+nbf, [all …]
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/dports/biology/infernal/infernal-1.1.3/src/ |
H A D | cm_alidisplay.c | 811 …ad2->rfline = ad2->ncline = ad2->csline = ad2->model = ad2->mline = ad2->aseq = ad2->ppline = NU… in cm_alidisplay_Clone() 812 ad2->cmname = ad2->cmacc = ad2->cmdesc = NULL; in cm_alidisplay_Clone() 813 ad2->sqname = ad2->sqacc = ad2->sqdesc = NULL; in cm_alidisplay_Clone() 814 ad2->aseq_el = ad2->rfline_el = ad2->ppline_el = NULL; in cm_alidisplay_Clone() 826 ad2->csline = ad2->mem + (ad->csline - ad->mem); in cm_alidisplay_Clone() 827 ad2->model = ad2->mem + (ad->model - ad->mem); in cm_alidisplay_Clone() 846 ad2->sqname = ad2->mem + (ad->sqname - ad->mem); in cm_alidisplay_Clone() 847 ad2->sqacc = ad2->mem + (ad->sqacc - ad->mem); in cm_alidisplay_Clone() 848 ad2->sqdesc = ad2->mem + (ad->sqdesc - ad->mem); in cm_alidisplay_Clone() 892 return ad2; in cm_alidisplay_Clone() [all …]
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/dports/astro/py-ro/RO-3.6.9/python/RO/Alg/ |
H A D | MultiDict.py | 97 ad2 = ad.copy() variable 98 ad2.setdefault("a", "foo") 99 ad2.setdefault("a", "foo") 100 ad2.setdefault("b", "bar") 101 ad2.setdefault("b", "bar") 105 print((RO.StringUtil.prettyDict(ad2))) 115 ad2 = ad.copy() variable 116 ad2.setdefault("a", "foo") 117 ad2.setdefault("a", "foo") 118 ad2.setdefault("b", "bar") [all …]
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