| /dports/science/PETSc/petsc-3.14.1/src/tao/leastsquares/tutorials/matlab/ |
| H A D | ProblemFinalize.m | 5 if nfev < nfmax
8 fvals = fvals(1:nfmax);
9 fvecs = fvecs(1:nfmax,:);
10 X_hist = X_hist(1:nfmax,:);
26 options = optimset('MaxFunEvals',nfmax,'MaxIter',nfmax);
30 fvals = zeros(nfmax,1);
31 fvecs = zeros(nfmax,m);
32 X_hist = zeros(nfmax,n);
38 if nfev < nfmax
41 fvals = fvals(1:nfmax);
[all …]
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| H A D | ProblemInitialize.m | 20 nfmax = nf_const*(n+1); % Maximum number of function evaluations variable
26 fvals = zeros(nfmax,1);
27 fvecs = zeros(nfmax,m);
28 X_hist = zeros(nfmax,n);
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/selci/ |
| H A D | ci.F | 59 iw1 = selci_mptr(nfmax*nfmax*nsmax)
60 iw2 = selci_mptr(nfmax2*nfmax*(nsmax-1))
63 $ nfmax,nfmax2,nsmax)
66 call ga_brdcst(5,q(iw1),mdtob(nfmax*nfmax*nsmax),0)
67 call ga_brdcst(6,q(iw2),mdtob(nfmax2*nfmax*(nsmax-1)),0)
87 iwork1 = selci_mptr(max(nfmax*nfmax, nci))
88 iwork2 = selci_mptr(nfmax*nfmax)
89 iwork3 = selci_mptr(nfmax*nfmax)
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| H A D | loadw.F | 3 subroutine selci_loadw(iflwmt, w1, w2, nfmax, nfmax2, nsmax) argument
8 dimension w1(nfmax,nfmax,nsmax), w2(nfmax2,nfmax,nsmax-1)
13 & (((w1(iu,iv,i),iu=1,nfmax),iv=1,nfmax),i=nsmax,1,-1)
14 if (nfmax2*nfmax*(nsmax-1).gt.0) then
16 & (((w2(iu,iv,i),iu=1,nfmax2),iv=1,nfmax),i=1,nsmax-1)
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| H A D | mkvc.F | 14 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1),
16 $ ci(nci,nroot),vc(nfmax,nroot),ipack(nintpo),
17 $ work1(nfmax,nfmax),iocc(255)
29 iwork2 = selci_mptr(nfmax*nfmax)
30 iwork3 = selci_mptr(nfmax*nfmax)
42 call dfill(nfmax*nroot,0.0d0,vc,1)
81 $ vc, 1, nfmax, numf, numf2, nroot)
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| H A D | tester.F | 22 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1),
24 $ ci(nci,nroot),ept(nroot),enew(nroot),vc(nfmax,nroot),
50 iwork1 = selci_mptr(nfmax*nfmax)
63 $ nfmax, q(idnorm))
67 call selci_mpdele(numf, nroot, q(ide), vc, roots_mp,nfmax,
72 call selci_mpdele(numf, nroot, q(ide), vc, roots_mp,nfmax,
77 $ nfmax, q(idnorm))
82 $ nfmax, q(idnorm))
85 call selci_mpdele(numf, nroot, q(ide), vc, roots_mp,nfmax,
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| H A D | eijkj.F | 13 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
46 call selci_axb(w1(1,1,ib),nfmax,w1(1,1,kb),nfmax,
50 call selci_axbt(e,numf,w1(1,1,jb),nfmax,
70 call selci_axb(w2(1,1,ib),nfmax2,w1(1,1,kb),nfmax,
74 call selci_axbt(e,numf,w1(1,1,jb),nfmax,
101 call selci_axbt(e,numf,w1(1,1,jb),nfmax,
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| H A D | makeh.F | 28 & w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1),
35 dimension work2(nfmax*nfmax),
36 $ work1(nfmax*nfmax),work3(nfmax*nfmax),
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| H A D | eijil.F | 13 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
38 call selci_axb(w2(1,1,ib),nfmax2,w1(1,1,ib),nfmax,
54 call selci_axbt(e,numf,w1(1,1,lb),nfmax,
58 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
75 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
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| H A D | couple.c | 18 #define nfmax 1001 macro
311 int nf, int d[nsmax][nfmax+1], in MakeAxialDistances()
312 double p[nsmax][nfmax+1], double g[nsmax][nfmax+1]) in MakeAxialDistances()
449 double pp[nsmax][nfmax+1], double g[nsmax][nfmax+1], in RightMultiply()
450 int perm[nsmax][nfmax+1]) in RightMultiply()
476 double pp[nsmax][nfmax+1], double g[nsmax][nfmax+1], in LeftMultiply()
477 int perm[nsmax][nfmax+1]) in LeftMultiply()
603 static int d[nsmax][nfmax+1], f[nsmax+1][nfmax+1]; in SELCI_COUPLE()
605 static int perm[nsmax][nfmax+1], i, j, k, kk; in SELCI_COUPLE()
606 static double p[nsmax][nfmax+1], g[nsmax][nfmax+1], *u, *uu, *temp, *ttemp; in SELCI_COUPLE()
[all …]
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| H A D | inicij.F | 12 dimension w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
48 call selci_axbt(w1(1,1,ib),nfmax, w1(1,1,jb),nfmax,
64 call selci_axbt(w1(1,1,ib),nfmax, w2(1,1,jb),nfmax2,
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| H A D | eij.F | 54 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
103 call selci_axbt(w1(1,1,ib),nfmax, w1(1,1,jb),nfmax, e,numf,
131 call selci_axbt(w1(1,1,ib),nfmax, w2(1,1,jb),nfmax2, e,numf,
167 call selci_axbt(w2(1,1,ib),nfmax2, w1(1,1,jb),nfmax, e,numf,
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| H A D | eirerj.F | 12 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
51 call selci_axbt(w1(1,1,ib),nfmax,w2(1,1,irb),nfmax2,
59 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
77 call selci_axbt(w1(1,1,ib),nfmax,w2(1,1,irb),nfmax2,
111 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
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| H A D | selci_select.F | 73 iw1 = selci_mptr(nfmax*nfmax*nsmax)
74 iw2 = selci_mptr(nfmax2*nfmax*(nsmax-1))
89 call selci_loadw(iflwmt, q(iw1), q(iw2), nfmax, nfmax2, nsmax)
116 call ga_brdcst(14,q(iw1),mdtob(nfmax*nfmax*nsmax),0)
117 call ga_brdcst(15,q(iw2),mdtob(nfmax2*nfmax*(nsmax-1)),0)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/selci/ |
| H A D | ci.F | 60 iw1 = selci_mptr(nfmax*nfmax*nsmax)
61 iw2 = selci_mptr(nfmax2*nfmax*(nsmax-1))
64 $ nfmax,nfmax2,nsmax)
67 call ga_brdcst(5,q(iw1),mdtob(nfmax*nfmax*nsmax),0)
68 call ga_brdcst(6,q(iw2),mdtob(nfmax2*nfmax*(nsmax-1)),0)
88 iwork1 = selci_mptr(max(nfmax*nfmax, nci))
89 iwork2 = selci_mptr(nfmax*nfmax)
90 iwork3 = selci_mptr(nfmax*nfmax)
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| H A D | loadw.F | 3 subroutine selci_loadw(iflwmt, w1, w2, nfmax, nfmax2, nsmax) argument
8 dimension w1(nfmax,nfmax,nsmax), w2(nfmax2,nfmax,nsmax-1)
13 & (((w1(iu,iv,i),iu=1,nfmax),iv=1,nfmax),i=nsmax,1,-1)
14 if (nfmax2*nfmax*(nsmax-1).gt.0) then
16 & (((w2(iu,iv,i),iu=1,nfmax2),iv=1,nfmax),i=1,nsmax-1)
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| H A D | mkvc.F | 14 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1),
16 $ ci(nci,nroot),vc(nfmax,nroot),ipack(nintpo),
17 $ work1(nfmax,nfmax),iocc(255)
29 iwork2 = selci_mptr(nfmax*nfmax)
30 iwork3 = selci_mptr(nfmax*nfmax)
42 call dfill(nfmax*nroot,0.0d0,vc,1)
81 $ vc, 1, nfmax, numf, numf2, nroot)
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| H A D | tester.F | 22 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1),
24 $ ci(nci,nroot),ept(nroot),enew(nroot),vc(nfmax,nroot),
50 iwork1 = selci_mptr(nfmax*nfmax)
63 $ nfmax, q(idnorm))
67 call selci_mpdele(numf, nroot, q(ide), vc, roots_mp,nfmax,
72 call selci_mpdele(numf, nroot, q(ide), vc, roots_mp,nfmax,
77 $ nfmax, q(idnorm))
82 $ nfmax, q(idnorm))
85 call selci_mpdele(numf, nroot, q(ide), vc, roots_mp,nfmax,
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| H A D | eijkj.F | 13 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
46 call selci_axb(w1(1,1,ib),nfmax,w1(1,1,kb),nfmax,
50 call selci_axbt(e,numf,w1(1,1,jb),nfmax,
70 call selci_axb(w2(1,1,ib),nfmax2,w1(1,1,kb),nfmax,
74 call selci_axbt(e,numf,w1(1,1,jb),nfmax,
101 call selci_axbt(e,numf,w1(1,1,jb),nfmax,
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| H A D | makeh.F | 28 & w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1),
35 dimension work2(nfmax*nfmax),
36 $ work1(nfmax*nfmax),work3(nfmax*nfmax),
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| H A D | eijil.F | 13 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
38 call selci_axb(w2(1,1,ib),nfmax2,w1(1,1,ib),nfmax,
54 call selci_axbt(e,numf,w1(1,1,lb),nfmax,
58 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
75 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
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| H A D | couple.c | 18 #define nfmax 1001 macro
311 int nf, int d[nsmax][nfmax+1], in MakeAxialDistances()
312 double p[nsmax][nfmax+1], double g[nsmax][nfmax+1]) in MakeAxialDistances()
449 double pp[nsmax][nfmax+1], double g[nsmax][nfmax+1], in RightMultiply()
450 int perm[nsmax][nfmax+1]) in RightMultiply()
476 double pp[nsmax][nfmax+1], double g[nsmax][nfmax+1], in LeftMultiply()
477 int perm[nsmax][nfmax+1]) in LeftMultiply()
603 static int d[nsmax][nfmax+1], f[nsmax+1][nfmax+1]; in SELCI_COUPLE()
605 static int perm[nsmax][nfmax+1], i, j, k, kk; in SELCI_COUPLE()
606 static double p[nsmax][nfmax+1], g[nsmax][nfmax+1], *u, *uu, *temp, *ttemp; in SELCI_COUPLE()
[all …]
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| H A D | inicij.F | 12 dimension w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
48 call selci_axbt(w1(1,1,ib),nfmax, w1(1,1,jb),nfmax,
64 call selci_axbt(w1(1,1,ib),nfmax, w2(1,1,jb),nfmax2,
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| H A D | eij.F | 54 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
103 call selci_axbt(w1(1,1,ib),nfmax, w1(1,1,jb),nfmax, e,numf,
131 call selci_axbt(w1(1,1,ib),nfmax, w2(1,1,jb),nfmax2, e,numf,
167 call selci_axbt(w2(1,1,ib),nfmax2, w1(1,1,jb),nfmax, e,numf,
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| H A D | eirerj.F | 12 $ w1(nfmax,nfmax,nsmax),w2(nfmax2,nfmax,nsmax-1)
51 call selci_axbt(w1(1,1,ib),nfmax,w2(1,1,irb),nfmax2,
59 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
77 call selci_axbt(w1(1,1,ib),nfmax,w2(1,1,irb),nfmax2,
111 call selci_axbt(work,numf,w1(1,1,jb),nfmax,
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