/dports/science/nwchem-data/nwchem-7.0.2-release/src/ccsd/ |
H A D | ccsd_itm.F | 69 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 158 ad1=ad1+1 220 ad1=ad1+1 237 ad1=ad1+1 246 ad1=ad1+1 267 ad1=ad1+1 306 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 332 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 354 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 380 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then [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, 303 ad1=ad1+1 307 buff(ad1,tid)=buff(ad1,tid) 382 ad1=ad1+1 385 buff(ad1,tid)=buff(ad1,tid) 387 buff(ad1,tid)=buff(ad1,tid) 403 ad1=ad1+1 414 ad1=ad1+1 446 ad1=ad1+1 617 call ga_get(g_nt2,1,lnov,ad1,ad1, [all …]
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H A D | ccsd_tzintb.F | 34 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 38 call ga_get(g_tmp,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 81 call ga_get(g_x,1,nbf*nbf,ad1,ad1,scrb,nbf*nbf) 85 ad1=ad1+1 94 ad1=ad1+1 102 ad1=ad1+1 103 scra(ad1)=scra(ad1)+scrb((k-1)*nbf+l) 118 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 157 if (ad1.ge.g_ilo.and.ad1.le.g_ihi)then 179 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then [all …]
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H A D | ccsd_rdtrpo.F | 52 ad1=ad1+1 65 ad1=0 69 ad1=ad1+1 81 ad1=ad1+1 91 ad1=ad1+1 106 call ga_put(g_objv,1,ad1,av,av,buf2,ad1) 114 ad1=ad1+1 132 ad1=0 135 ad1=ad1+1 183 ad1=ad1+1 [all …]
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H A D | ccsd_zsig2.F | 61 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 94 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 126 ad1=ad1+1 142 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 161 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 177 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 226 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 294 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 318 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 353 if (ad1.ge.g_ilo.and.ad1.le.g_ihi)then [all …]
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H A D | ccsd_tzinta.F | 25 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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, 52 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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, 81 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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_idx2.F | 79 ad1=offki 82 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,bufb(1,tid),nfik) 96 call ga_acc(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc,bufb(1,tid), 109 ad1=offik 112 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc, 178 ad1=offki 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) [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, 89 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 159 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 192 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 225 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 284 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 337 scra((a-1)*nocc+k)=scrf(ad1)+scrb(ad1) 349 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 368 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 386 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then [all …]
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H A D | ccsd_zvecs.F | 73 call ga_put(g_nz2,1,i*nvir,ad1,ad1,scrb,i*nvir) 82 ad1=(i-1)*nvir 83 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)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, 111 ad1=(i-1)*nvir 112 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)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_pampt2.F | 104 call ga_put(g_nt2,(j-1)*nvir+1,j*nvir,ad1,ad1,scrb,nvir) 115 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)then 121 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 130 call ga_put(g_nt2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 156 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)then 161 call ga_get(g_nht2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 163 call ga_get(g_nht2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 172 call ga_put(g_nht2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 186 call ga_get(g_nht2,1,lnov,ad1,ad1,scrb,lnov) 298 call ga_put(g_nt2,1,i*nvir,ad1,ad1,scrb,i*nvir) [all …]
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H A D | ccsd_pdiis.F | 17 & oft2p1,it,offbb,ad1 83 ad1=(it-1)*lhoov 84 call ga_get(g_newht2,ad1+1,ad1+lnov,nvp1,nvp1,ht1,lnov) 97 ad1=(it-1)*lhoov 98 call ga_get(g_newht2,ad1+1,ad1+lhoov,av,av,scrb,lhoov) 111 ad1=0 115 ad1=ad1+1 151 ad1=(it-1)*lhoov 152 call ga_get(g_newt2,ad1+1,ad1+lnov,nvp1,nvp1,ht1,lnov) 163 ad1=(it-1)*lhoov [all …]
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H A D | ccsd_aosig.F | 62 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 66 call ga_get(g_tz1,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 91 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 95 call ga_get(g_tz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 129 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 133 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 229 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ccsd/ |
H A D | ccsd_itm.F | 69 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 158 ad1=ad1+1 220 ad1=ad1+1 237 ad1=ad1+1 246 ad1=ad1+1 267 ad1=ad1+1 306 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 332 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 354 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 380 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then [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, 303 ad1=ad1+1 307 buff(ad1,tid)=buff(ad1,tid) 382 ad1=ad1+1 385 buff(ad1,tid)=buff(ad1,tid) 387 buff(ad1,tid)=buff(ad1,tid) 403 ad1=ad1+1 414 ad1=ad1+1 446 ad1=ad1+1 617 call ga_get(g_nt2,1,lnov,ad1,ad1, [all …]
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H A D | ccsd_tzintb.F | 34 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 38 call ga_get(g_tmp,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 81 call ga_get(g_x,1,nbf*nbf,ad1,ad1,scrb,nbf*nbf) 85 ad1=ad1+1 94 ad1=ad1+1 102 ad1=ad1+1 103 scra(ad1)=scra(ad1)+scrb((k-1)*nbf+l) 118 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 157 if (ad1.ge.g_ilo.and.ad1.le.g_ihi)then 179 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then [all …]
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H A D | ccsd_rdtrpo.F | 52 ad1=ad1+1 65 ad1=0 69 ad1=ad1+1 81 ad1=ad1+1 91 ad1=ad1+1 106 call ga_put(g_objv,1,ad1,av,av,buf2,ad1) 114 ad1=ad1+1 132 ad1=0 135 ad1=ad1+1 183 ad1=ad1+1 [all …]
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H A D | ccsd_zsig2.F | 61 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 94 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 126 ad1=ad1+1 142 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 161 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 177 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 226 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 294 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 318 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 353 if (ad1.ge.g_ilo.and.ad1.le.g_ihi)then [all …]
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H A D | ccsd_tzinta.F | 25 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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, 52 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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, 81 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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_idx2.F | 79 ad1=offki 82 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc,bufb(1,tid),nfik) 96 call ga_acc(g_c,ad1+1,ad1+nact*nfi,ad2+1,ad2+nocc,bufb(1,tid), 109 ad1=offik 112 call ga_put(g_x,ad1+1,ad1+nfik,ad2+1,ad2+nocc, 178 ad1=offki 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) [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, 89 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 159 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 192 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 225 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 284 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 337 scra((a-1)*nocc+k)=scrf(ad1)+scrb(ad1) 349 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 368 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 386 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then [all …]
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H A D | ccsd_zvecs.F | 73 call ga_put(g_nz2,1,i*nvir,ad1,ad1,scrb,i*nvir) 82 ad1=(i-1)*nvir 83 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)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, 111 ad1=(i-1)*nvir 112 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)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_pampt2.F | 104 call ga_put(g_nt2,(j-1)*nvir+1,j*nvir,ad1,ad1,scrb,nvir) 115 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)then 121 call ga_get(g_nt2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 130 call ga_put(g_nt2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 156 if (ad1+1.ge.ilo.and.ad1+1.le.ihi)then 161 call ga_get(g_nht2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 163 call ga_get(g_nht2,ad1+1,ad1+nvir,ad2+1,ad2+nvir, 172 call ga_put(g_nht2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 186 call ga_get(g_nht2,1,lnov,ad1,ad1,scrb,lnov) 298 call ga_put(g_nt2,1,i*nvir,ad1,ad1,scrb,i*nvir) [all …]
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H A D | ccsd_pdiis.F | 17 & oft2p1,it,offbb,ad1 83 ad1=(it-1)*lhoov 84 call ga_get(g_newht2,ad1+1,ad1+lnov,nvp1,nvp1,ht1,lnov) 97 ad1=(it-1)*lhoov 98 call ga_get(g_newht2,ad1+1,ad1+lhoov,av,av,scrb,lhoov) 111 ad1=0 115 ad1=ad1+1 151 ad1=(it-1)*lhoov 152 call ga_get(g_newt2,ad1+1,ad1+lnov,nvp1,nvp1,ht1,lnov) 163 ad1=(it-1)*lhoov [all …]
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H A D | ccsd_aosig.F | 62 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 66 call ga_get(g_tz1,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 91 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 95 call ga_get(g_tz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 129 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)then 133 call ga_get(g_nz2,ad2+1,ad2+nvir,ad1+1,ad1+nvir, 229 if (ad1+1.ge.g_ilo.and.ad1+1.le.g_ihi)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/math/lidia/lidia-2.3.0+latte-patches-2014-10-04/src/finite_fields/gf2n_polynomial/ |
H A D | gf2n_poly_karatzuba.cc | 102 ad1 = ad / 2; if (ad & 1) ad1 ++; \ 103 ad2 = ad - ad1; bd2 = bd - ad1; \ 114 gf2n_p_mult(t1, a, b, ad1, ad1); gf2n_p_mult(t2, a+ad1, b + ad1, ad2, bd2); \ 117 for (i = 0; i < ad1; i++) if (i < bd2) add(t3[i+ad1], b[i], b[i+ad1]); \ 119 gf2n_p_mult(t4, t3+ad1, t3, ad1, ad1); \ 125 add(r[i+ad1], r[i+ad1], t4[i] + t1[i]); \ 396 for (i = ad1; i < ad1 + bd - 1; i++) in gf2n_p_mult() 410 gf2n_p_mult(t1, a, b, ad1, ad1); in gf2n_p_mult() 421 add(t3[i+ad1], b[i], b[i+ad1]); in gf2n_p_mult() 425 gf2n_p_mult(t4, t3+ad1, t3, ad1, ad1); in gf2n_p_mult() [all …]
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