/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/recycling/wfn1/ |
H A D | wfn1_ad.F | 1113 + ixto(ix2)*(ixto(ix2)-1)/2+iyto(iy)) 1131 ix2 = ix2 + 1 1427 ix2 = ix2 + 1 1761 + x%d2(ix2*(ix2-1)/2+ix3) 1770 + x%d2(ix2*(ix2-1)/2+ix3) 1829 ix2 = ix2 + 1 2532 & *x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 2815 & + 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 2994 & - 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 3547 if (ix2.lt.1.or.ix2.gt.x%nvar) then [all …]
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H A D | wfn1_closest_three.F | 11 subroutine wfn1_closest_three(npts,xx,ix,ix1,ix2,ix3) argument 18 integer ix2 !< [Output] The index of point 2 local 28 ix2 = 2 36 ix2 = ix1+1 37 ix3 = ix2+1 44 ix2 = ix3-1 45 ix1 = ix2-1 52 ix2 = ix
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/rdmft/recycling/wfn1/ |
H A D | wfn1_ad.F | 1113 + ixto(ix2)*(ixto(ix2)-1)/2+iyto(iy)) 1131 ix2 = ix2 + 1 1427 ix2 = ix2 + 1 1761 + x%d2(ix2*(ix2-1)/2+ix3) 1770 + x%d2(ix2*(ix2-1)/2+ix3) 1829 ix2 = ix2 + 1 2532 & *x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 2815 & + 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 2994 & - 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 3547 if (ix2.lt.1.or.ix2.gt.x%nvar) then [all …]
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H A D | wfn1_closest_three.F | 11 subroutine wfn1_closest_three(npts,xx,ix,ix1,ix2,ix3) argument 18 integer ix2 !< [Output] The index of point 2 28 ix2 = 2 36 ix2 = ix1+1 37 ix3 = ix2+1 44 ix2 = ix3-1 45 ix1 = ix2-1 52 ix2 = ix
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/nwad/ |
H A D | nwad.F | 1803 ix2 = ix2 + 1 1904 + + x%d2(ix2*(ix2-1)/2+ix3) * y%d1(ix) 2164 ix2 = ix2 + 1 2586 + x%d2(ix2*(ix2-1)/2+ix3) 2595 + x%d2(ix2*(ix2-1)/2+ix3) 2654 ix2 = ix2 + 1 3597 & *x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 3920 & + 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 4123 & - 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 5182 if (ix2.lt.1.or.ix2.gt.x%nvar) then [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/nwad/ |
H A D | nwad.F | 1803 ix2 = ix2 + 1 1904 + + x%d2(ix2*(ix2-1)/2+ix3) * y%d1(ix) 2164 ix2 = ix2 + 1 2586 + x%d2(ix2*(ix2-1)/2+ix3) 2595 + x%d2(ix2*(ix2-1)/2+ix3) 2654 ix2 = ix2 + 1 3597 & *x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 3920 & + 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 4123 & - 2*x%d1(ix)*x%d2(ix2*(ix2-1)/2+ix3) 5182 if (ix2.lt.1.or.ix2.gt.x%nvar) then [all …]
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/dports/cad/calculix-ccx/CalculiX/ccx_2.18/src/ |
H A D | isortiiddc.f | 246 tx12=ix2(1,ij) 261 ix2(1,ij)=ix2(1,i) 262 ix2(2,ij)=ix2(2,i) 294 ix2(1,ij)=ix2(1,j) 295 ix2(2,ij)=ix2(2,j) 325 ix2(1,ij)=ix2(1,i) 326 ix2(2,ij)=ix2(2,i) 378 ix2(1,l)=ix2(1,k) 379 ix2(2,l)=ix2(2,k) 438 ix2(1,k+1)=ix2(1,k) [all …]
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/dports/biology/biosig/biosig-2.3.3/biosig4matlab/t200_FileAccess/ |
H A D | bdf2biosig_events.m | 74 POS = [find(ix1>0);find(ix2>0);find(ix1<0);find(ix2<0)]; 88 POS = [find(ix2)]; 89 TYP = [t(ix2>0); t(find(ix2<0)-1)+hex2dec('8000')]; 97 TYP = [t(ix2>0)]; 104 POS = [find(ix2)]; 105 TYP = [t(ix2>0); t(find(ix2<0)-1)+hex2dec('8000')]; 113 TYP = [t(ix2>0)]; 123 POS = [POS; find(ix2>0); find(ix2<0)]; 142 POS = find(ix2); 143 TYP = t(ix2); [all …]
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/dports/science/bagel/bagel-1.2.2/src/smith/caspt2/ |
H A D | MSCASPT2_tasks6.cc | 718 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 733 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 882 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 897 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 943 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 958 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 1022 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 1037 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 1054 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 1069 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local [all …]
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H A D | CASPT2_tasks11.cc | 480 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 495 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 511 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 540 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 644 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 659 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 705 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 720 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 784 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local 799 for (int ix2 = 0; ix2 != x2.size(); ++ix2) { in compute() local [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/ |
H A D | wfn1_closest_three.F | 11 subroutine wfn1_closest_three(npts,xx,ix,ix1,ix2,ix3) argument 20 integer, intent(out) :: ix2 !< The index of point 2 28 ix2 = 2 36 ix2 = ix1+1 37 ix3 = ix2+1 44 ix2 = ix3-1 45 ix1 = ix2-1 52 ix2 = ix
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/rdmft/ |
H A D | wfn1_closest_three.F | 11 subroutine wfn1_closest_three(npts,xx,ix,ix1,ix2,ix3) argument 20 integer, intent(out) :: ix2 !< The index of point 2 28 ix2 = 2 36 ix2 = ix1+1 37 ix3 = ix2+1 44 ix2 = ix3-1 45 ix1 = ix2-1 52 ix2 = ix
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/fft/pfft1.0/fftpack/ |
H A D | dcftb1.F | 22 ix2 = iw+idot 23 ix3 = ix2+idot 25 call dpssb4 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 27 101 call dpssb4 (idot,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 40 ix2 = iw+idot 42 call dpssb3 (idot,l1,c,ch,wa(iw),wa(ix2)) 44 107 call dpssb3 (idot,l1,ch,c,wa(iw),wa(ix2)) 49 ix2 = iw+idot 50 ix3 = ix2+idot 53 call dpssb5 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | dcftf1.F | 22 ix2 = iw+idot 23 ix3 = ix2+idot 25 call dpssf4 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 27 101 call dpssf4 (idot,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 40 ix2 = iw+idot 42 call dpssf3 (idot,l1,c,ch,wa(iw),wa(ix2)) 44 107 call dpssf3 (idot,l1,ch,c,wa(iw),wa(ix2)) 49 ix2 = iw+idot 50 ix3 = ix2+idot 53 call dpssf5 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | srftb1.F | 17 ix2 = iw+ido 18 ix3 = ix2+ido 20 call sradb4 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 22 101 call sradb4 (ido,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 33 ix2 = iw+ido 35 call sradb3 (ido,l1,c,ch,wa(iw),wa(ix2)) 37 107 call sradb3 (ido,l1,ch,c,wa(iw),wa(ix2)) 41 ix2 = iw+ido 42 ix3 = ix2+ido 45 call sradb5 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | srftf1.F | 21 ix2 = iw+ido 22 ix3 = ix2+ido 24 call sradf4 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 26 101 call sradf4 (ido,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 35 ix2 = iw+ido 37 call sradf3 (ido,l1,c,ch,wa(iw),wa(ix2)) 39 105 call sradf3 (ido,l1,ch,c,wa(iw),wa(ix2)) 42 ix2 = iw+ido 43 ix3 = ix2+ido 46 call sradf5 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | drftf1.F | 25 ix2 = iw+ido 26 ix3 = ix2+ido 28 call dradf4 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 30 101 call dradf4 (ido,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 41 ix2 = iw+ido 43 call dradf3 (ido,l1,c,ch,wa(iw),wa(ix2)) 45 105 call dradf3 (ido,l1,ch,c,wa(iw),wa(ix2)) 49 ix2 = iw+ido 50 ix3 = ix2+ido 53 call dradf5 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | scftb1.F | 18 ix2 = iw+idot 19 ix3 = ix2+idot 21 call spssb4 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 23 101 call spssb4 (idot,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 34 ix2 = iw+idot 36 call spssb3 (idot,l1,c,ch,wa(iw),wa(ix2)) 38 107 call spssb3 (idot,l1,ch,c,wa(iw),wa(ix2)) 42 ix2 = iw+idot 43 ix3 = ix2+idot 46 call spssb5 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | scftf1.F | 18 ix2 = iw+idot 19 ix3 = ix2+idot 21 call spssf4 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 23 101 call spssf4 (idot,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 34 ix2 = iw+idot 36 call spssf3 (idot,l1,c,ch,wa(iw),wa(ix2)) 38 107 call spssf3 (idot,l1,ch,c,wa(iw),wa(ix2)) 42 ix2 = iw+idot 43 ix3 = ix2+idot 46 call spssf5 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/fft/pfft1.0/fftpack/ |
H A D | dcftb1.F | 22 ix2 = iw+idot 23 ix3 = ix2+idot 25 call dpssb4 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 27 101 call dpssb4 (idot,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 40 ix2 = iw+idot 42 call dpssb3 (idot,l1,c,ch,wa(iw),wa(ix2)) 44 107 call dpssb3 (idot,l1,ch,c,wa(iw),wa(ix2)) 49 ix2 = iw+idot 50 ix3 = ix2+idot 53 call dpssb5 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | dcftf1.F | 22 ix2 = iw+idot 23 ix3 = ix2+idot 25 call dpssf4 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 27 101 call dpssf4 (idot,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 40 ix2 = iw+idot 42 call dpssf3 (idot,l1,c,ch,wa(iw),wa(ix2)) 44 107 call dpssf3 (idot,l1,ch,c,wa(iw),wa(ix2)) 49 ix2 = iw+idot 50 ix3 = ix2+idot 53 call dpssf5 (idot,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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H A D | drftf1.F | 25 ix2 = iw+ido 26 ix3 = ix2+ido 28 call dradf4 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3)) 30 101 call dradf4 (ido,l1,ch,c,wa(iw),wa(ix2),wa(ix3)) 41 ix2 = iw+ido 43 call dradf3 (ido,l1,c,ch,wa(iw),wa(ix2)) 45 105 call dradf3 (ido,l1,ch,c,wa(iw),wa(ix2)) 49 ix2 = iw+ido 50 ix3 = ix2+ido 53 call dradf5 (ido,l1,c,ch,wa(iw),wa(ix2),wa(ix3),wa(ix4)) [all …]
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/dports/science/cdcl/dcl-5.4.8-C/src/math2/fftlib/ |
H A D | cfftf1.c | 54 ix2 = iw + idot; in cfftf1_() 55 ix3 = ix2 + idot; in cfftf1_() 59 passf4_(&idot, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2], &wa[ix3]); in cfftf1_() 62 passf4_(&idot, &l1, &ch[1], &c__[1], &wa[iw], &wa[ix2], &wa[ix3]); in cfftf1_() 84 ix2 = iw + idot; in cfftf1_() 88 passf3_(&idot, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2]); in cfftf1_() 91 passf3_(&idot, &l1, &ch[1], &c__[1], &wa[iw], &wa[ix2]); in cfftf1_() 99 ix2 = iw + idot; in cfftf1_() 100 ix3 = ix2 + idot; in cfftf1_() 105 passf5_(&idot, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2], &wa[ix3], &wa[ in cfftf1_() [all …]
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H A D | rfftb1.c | 52 ix2 = iw + ido; in rfftb1_() 53 ix3 = ix2 + ido; in rfftb1_() 57 radb4_(&ido, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2], &wa[ix3]); in rfftb1_() 60 radb4_(&ido, &l1, &ch[1], &c__[1], &wa[iw], &wa[ix2], &wa[ix3]); in rfftb1_() 82 ix2 = iw + ido; in rfftb1_() 86 radb3_(&ido, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2]); in rfftb1_() 89 radb3_(&ido, &l1, &ch[1], &c__[1], &wa[iw], &wa[ix2]); in rfftb1_() 97 ix2 = iw + ido; in rfftb1_() 98 ix3 = ix2 + ido; in rfftb1_() 103 radb5_(&ido, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2], &wa[ix3], &wa[ in rfftb1_() [all …]
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H A D | cfftb1.c | 54 ix2 = iw + idot; in cfftb1_() 55 ix3 = ix2 + idot; in cfftb1_() 59 passb4_(&idot, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2], &wa[ix3]); in cfftb1_() 62 passb4_(&idot, &l1, &ch[1], &c__[1], &wa[iw], &wa[ix2], &wa[ix3]); in cfftb1_() 84 ix2 = iw + idot; in cfftb1_() 88 passb3_(&idot, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2]); in cfftb1_() 91 passb3_(&idot, &l1, &ch[1], &c__[1], &wa[iw], &wa[ix2]); in cfftb1_() 99 ix2 = iw + idot; in cfftb1_() 100 ix3 = ix2 + idot; in cfftb1_() 105 passb5_(&idot, &l1, &c__[1], &ch[1], &wa[iw], &wa[ix2], &wa[ix3], &wa[ in cfftb1_() [all …]
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