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/dports/science/PETSc/petsc-3.14.1/src/mat/impls/aij/seq/ftn-kernels/
H A Dfrelax.F907 & adiag,idiag,aa,b) argument
13 PetscInt aj(0:*),adiag(0:*)
23 jend = adiag(i) - 1
37 & adiag,idiag,aa,b) argument
42 PetscInt aj(0:*),adiag(0:*)
51 jstart = adiag(i) + 1
64 subroutine FortranRelaxAIJForward(n,omega,x,ai,aj,adiag,aa,b) argument
69 PetscInt aj(0:*),adiag(0:*)
85 & omega*(sum + aa(adiag(i))*x(i))/ aa(adiag(i))
97 PetscInt aj(0:*),adiag(0:*)
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H A Dfsolve.F909 subroutine FortranSolveAIJ(n,x,ai,aj,adiag,aa,b) argument
13 PetscInt aj(0:*),adiag(0:*)
23 jend = adiag(i) - 1
35 jstart = adiag(i) + 1
41 x(i) = sum * aa(adiag(i))
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/test/
H A Dtest_diis.py26 adiag = a.diagonal()
27 x0 = b / adiag
28 arest = a - numpy.diag(adiag)
29 return a, b, adiag, arest, x0
33 a, b, adiag, arest, x = make_ab(16)
36 x = (b - arest.dot(x)) / adiag
42 a, b, adiag, arest, x = make_ab(16)
46 x = (b - arest.dot(x)) / adiag
57 x = (b - arest.dot(x)) / adiag
64 x = (b - arest.dot(x)) / adiag
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/dports/math/R-cran-magic/magic/man/
H A Dadiag.Rd1 \name{adiag}
2 \alias{adiag}
8 adiag(... , pad=as.integer(0), do.dimnames=TRUE)
61 adiag(a,b)
70 dim(adiag(a,b1))
71 dim(adiag(a,b2))
79 adiag(a,b) #dimnames preserved
84 adiag(q,q,pad=1:4)
87 adiag(q,q,pad=1:36)
98 adiag(a,t(z))
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H A Dapad.Rd41 \code{adiag()}.
46 Function \code{apad()} is distinct from \code{adiag()}, which takes
50 new array elements. Function \code{adiag()} uses a second array;
53 \seealso{\code{\link{adiag}}}
/dports/math/R-cran-magic/magic/tests/
H A Daaa.R118 stopifnot(identical(dim(adiag(x,x,x)),rep(3:3,7)))
119 stopifnot(identical(adiag(a,t(a)),t(adiag(t(a),a))))
120 stopifnot(identical(adiag(1,1,1,1,1),diag(5)))
131 stopifnot(minmax(adiag(a,43,pad=43)))
135 stopifnot(minmax(subsums(adiag(a,a),2)))
139 jj1 <- subsums(adiag(a,0,a),2,wrap=F)
141 jj2 <- adiag(x,x)
152 f <- function(x,y,z){stopifnot(identical(adiag(adiag(x,y),z),adiag(x,adiag(y,z))))}
236 identical(apldrop(adiag(a,a),dim(a)),a) &
237 identical(apltake(adiag(a,a),dim(a)),a) &
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/dports/science/PETSc/petsc-3.14.1/src/mat/impls/baij/seq/
H A Dbaijfact81.c127 const PetscInt *ai=a->i,*aj=a->j,*adiag=a->diag,*vi; in MatSolve_SeqBAIJ_9_NaturalOrdering() local
212 v = aa + bs2*(adiag[i+1]+1); in MatSolve_SeqBAIJ_9_NaturalOrdering()
213 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_9_NaturalOrdering()
214 nz = adiag[i] - adiag[i+1]-1; in MatSolve_SeqBAIJ_9_NaturalOrdering()
285 a0 = _mm256_loadu_pd(&(aa+bs2*adiag[i])[0]); w0 = _mm256_fmadd_pd(a0,v0,w0); in MatSolve_SeqBAIJ_9_NaturalOrdering()
286 a1 = _mm256_loadu_pd(&(aa+bs2*adiag[i])[4]); w1 = _mm256_fmadd_pd(a1,v0,w1); in MatSolve_SeqBAIJ_9_NaturalOrdering()
287 a2 = _mm256_loadu_pd(&(aa+bs2*adiag[i])[8]); w2 = _mm256_fmadd_pd(a2,v0,w2); in MatSolve_SeqBAIJ_9_NaturalOrdering()
291 a3 = _mm256_loadu_pd(&(aa+bs2*adiag[i])[9]); w0 = _mm256_fmadd_pd(a3,v1,w0); in MatSolve_SeqBAIJ_9_NaturalOrdering()
292 a4 = _mm256_loadu_pd(&(aa+bs2*adiag[i])[13]); w1 = _mm256_fmadd_pd(a4,v1,w1); in MatSolve_SeqBAIJ_9_NaturalOrdering()
293 a5 = _mm256_loadu_pd(&(aa+bs2*adiag[i])[17]); w2 = _mm256_fmadd_pd(a5,v1,w2); in MatSolve_SeqBAIJ_9_NaturalOrdering()
[all …]
H A Dbaijsolvnat1.c102 const PetscInt n = a->mbs,*aj = a->j,*adiag = a->diag,*vi; in MatBackwardSolve_SeqBAIJ_1_NaturalOrdering() local
116 v = aa + adiag[i+1] + 1; in MatBackwardSolve_SeqBAIJ_1_NaturalOrdering()
117 vi = aj + adiag[i+1] + 1; in MatBackwardSolve_SeqBAIJ_1_NaturalOrdering()
118 nz = adiag[i] - adiag[i+1]-1; in MatBackwardSolve_SeqBAIJ_1_NaturalOrdering()
134 const PetscInt n = a->mbs,*ai = a->i,*aj = a->j,*adiag = a->diag,*vi; in MatSolve_SeqBAIJ_1_NaturalOrdering() local
161 v = aa + adiag[i+1] + 1; in MatSolve_SeqBAIJ_1_NaturalOrdering()
162 vi = aj + adiag[i+1] + 1; in MatSolve_SeqBAIJ_1_NaturalOrdering()
163 nz = adiag[i] - adiag[i+1]-1; in MatSolve_SeqBAIJ_1_NaturalOrdering()
H A Dbaijsolvnat14.c11 const PetscInt n=a->mbs,*ai=a->i,*aj=a->j,*adiag=a->diag,*vi,bs=A->rmap->bs,bs2=a->bs2; in MatSolve_SeqBAIJ_14_NaturalOrdering() local
55 v = aa + bs2*(adiag[i+1]+1); in MatSolve_SeqBAIJ_14_NaturalOrdering()
56 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_14_NaturalOrdering()
57 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_14_NaturalOrdering()
116 const PetscInt n=a->mbs,*ai=a->i,*aj=a->j,*adiag=a->diag,*vi,bs=A->rmap->bs,bs2=a->bs2; in MatSolve_SeqBAIJ_13_NaturalOrdering() local
159 v = aa + bs2*(adiag[i+1]+1); in MatSolve_SeqBAIJ_13_NaturalOrdering()
160 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_13_NaturalOrdering()
161 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_13_NaturalOrdering()
260 v = aa + bs2*(adiag[i+1]+1); in MatSolve_SeqBAIJ_12_NaturalOrdering()
261 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_12_NaturalOrdering()
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H A Dbaijsolvnat2.c69 const PetscInt n = a->mbs,*vi,*ai=a->i,*aj=a->j,*adiag=a->diag; in MatSolve_SeqBAIJ_2_NaturalOrdering() local
103 v = aa + 4*(adiag[i+1]+1); in MatSolve_SeqBAIJ_2_NaturalOrdering()
104 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_2_NaturalOrdering()
105 nz = adiag[i] - adiag[i+1]-1; in MatSolve_SeqBAIJ_2_NaturalOrdering()
173 const PetscInt n = a->mbs,*vi,*aj=a->j,*adiag=a->diag; in MatBackwardSolve_SeqBAIJ_2_NaturalOrdering() local
186 v = aa + 4*(adiag[i+1]+1); in MatBackwardSolve_SeqBAIJ_2_NaturalOrdering()
187 vi = aj + adiag[i+1]+1; in MatBackwardSolve_SeqBAIJ_2_NaturalOrdering()
188 nz = adiag[i] - adiag[i+1]-1; in MatBackwardSolve_SeqBAIJ_2_NaturalOrdering()
H A Dbaijsolvtrannat1.c7 const PetscInt *adiag = a->diag,*ai = a->i,*aj = a->j,*vi; in MatSolveTranspose_SeqBAIJ_1_NaturalOrdering() local
25 v = aa + adiag[i+1] + 1; in MatSolveTranspose_SeqBAIJ_1_NaturalOrdering()
26 vi = aj + adiag[i+1] + 1; in MatSolveTranspose_SeqBAIJ_1_NaturalOrdering()
27 nz = adiag[i] - adiag[i+1] - 1; in MatSolveTranspose_SeqBAIJ_1_NaturalOrdering()
H A Dbaijsolvnat3.c75 const PetscInt n =a->mbs,*vi,*ai=a->i,*aj=a->j,*adiag=a->diag; in MatSolve_SeqBAIJ_3_NaturalOrdering() local
113 v = aa + bs2*(adiag[i+1]+1); in MatSolve_SeqBAIJ_3_NaturalOrdering()
114 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_3_NaturalOrdering()
115 nz = adiag[i] - adiag[i+1]-1; in MatSolve_SeqBAIJ_3_NaturalOrdering()
190 const PetscInt n =a->mbs,*vi,*aj=a->j,*adiag=a->diag; in MatBackwardSolve_SeqBAIJ_3_NaturalOrdering() local
205 v = aa + bs2*(adiag[i+1]+1); in MatBackwardSolve_SeqBAIJ_3_NaturalOrdering()
206 vi = aj + adiag[i+1]+1; in MatBackwardSolve_SeqBAIJ_3_NaturalOrdering()
207 nz = adiag[i] - adiag[i+1]-1; in MatBackwardSolve_SeqBAIJ_3_NaturalOrdering()
H A Dbaijsolvnat11.c11 const PetscInt n=a->mbs,*ai=a->i,*aj=a->j,*adiag=a->diag,*vi,bs=A->rmap->bs,bs2=a->bs2; in MatSolve_SeqBAIJ_11_NaturalOrdering() local
52 v = aa + bs2*(adiag[i+1]+1); in MatSolve_SeqBAIJ_11_NaturalOrdering()
53 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_11_NaturalOrdering()
54 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_11_NaturalOrdering()
H A Dbaijsolvtran1.c9 const PetscInt *rout,*cout,*r,*c,*adiag = a->diag,*ai = a->i,*aj = a->j,*vi; in MatSolveTranspose_SeqBAIJ_1() local
29 v = aa + adiag[i+1] + 1; in MatSolveTranspose_SeqBAIJ_1()
30 vi = aj + adiag[i+1] + 1; in MatSolveTranspose_SeqBAIJ_1()
31 nz = adiag[i] - adiag[i+1] - 1; in MatSolveTranspose_SeqBAIJ_1()
H A Dbaijsolv.c217 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_7()
218 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_7()
409 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_6()
410 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_6()
587 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_5()
588 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_5()
747 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_4()
748 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_4()
1207 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_3()
1340 nz = adiag[i] - adiag[i+1] - 1; in MatSolve_SeqBAIJ_2()
[all …]
H A Dbaijsolvnat5.c77 const PetscInt n = a->mbs,*vi,*ai=a->i,*aj=a->j,*adiag=a->diag; in MatSolve_SeqBAIJ_5_NaturalOrdering() local
115 v = aa + 25*(adiag[i+1]+1); in MatSolve_SeqBAIJ_5_NaturalOrdering()
116 vi = aj + adiag[i+1]+1; in MatSolve_SeqBAIJ_5_NaturalOrdering()
117 nz = adiag[i] - adiag[i+1]-1; in MatSolve_SeqBAIJ_5_NaturalOrdering()
/dports/science/PETSc/petsc-3.14.1/src/mat/impls/baij/seq/ftn-kernels/
H A Dfsolvebaij.F9010 subroutine FortranSolveBAIJ4Unroll(n,x,ai,aj,adiag,a,b) argument
18 PetscInt adiag(0:*)
32 PETSC_AssertAlignx(16,adiag(1))
41 jend = adiag(i) - 1
72 jstart = adiag(i) + 1
91 ax = 16*adiag(i)
107 PetscInt n,ai(0:*),aj(0:*),adiag(0:*)
123 PETSC_AssertAlignx(16,adiag(1))
136 jend = adiag(i) - 1
177 jstart = adiag(i) + 1
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/dports/science/qbox/qbox-public-rel1_73_3/src/
H A Dtestjade.cpp158 vector<vector<double> > adiag(nmat); in main() local
162 adiag[k].resize(n_a); in main()
194 int nsweep = jade(maxsweep,tol,a,u,adiag); in main()
204 sort(adiag[k].begin(),adiag[k].end()); in main()
208 vector<double> e_exact(adiag[0].size()); in main()
230 asum += fabs(adiag[k][i]-e_exact[i]); in main()
H A Djade.cpp42 DoubleMatrix& u, vector<vector<double> >& adiag) in jade()
88 adiag.resize(a.size()); in jade()
90 adiag[k].resize(a[k]->n()); in jade()
609 adiag[k][i] = 0.0; in jade()
619 adiag[k][j] = ddot(&mloc,ap,&one,up,&one); in jade()
623 ctxt.dsum(a[k]->n(),1,&adiag[k][0],a[k]->n()); in jade()
/dports/science/xtb/xtb-6.4.1/src/
H A Ddavid2.f9050 real(wp), allocatable :: adiag(:),vecf1(:),vecf2(:),w(:)
66 allocate(adiag(n),vecf1(n),vecf2(n),w(n),av(maxiter*(maxiter+1)/2), &
98 adiag(i)=H(i,i)
152 vecf1=vecf2/(valn(1)-adiag)
215 deallocate(adiag,vecf1,vecf2,w,av,HP)
248 real(wp), allocatable :: adiag(:),vecf1(:),vecf2(:),w(:)
261 allocate(adiag(n),vecf1(n),vecf2(n),w(n),av(maxiter*(maxiter+1)/2))
286 adiag(i)=HP(i*(i+1)/2)
340 vecf1=vecf2/(valn(1)-adiag)
403 deallocate(adiag,vecf1,vecf2,w,av,lun1,lun2)
H A Ddavid.f58 real*8, allocatable :: adiag(:),vecf1(:),vecf2(:),w(:)
74 allocate(adiag(n),vecf1(n*nr),vecf2(n*nr),w(n),av(mx2*(mx2+1)/2),
123 adiag(i)=H(i,i)
210 call dvdssvd(n,valn(lauf),vecf2(ianf),adiag,vecf1(ianf))
315 deallocate(adiag,vecf1,vecf2,w,av,HP)
383 real*4, allocatable :: adiag(:),vecf1(:),vecf2(:),w(:)
399 allocate(adiag(n),vecf1(n*nr),vecf2(n*nr),w(n),av(mx2*(mx2+1)/2),
448 adiag(i)=H(i,i)
535 call svdssvd(n,valn(lauf),vecf2(ianf),adiag,vecf1(ianf))
640 deallocate(adiag,vecf1,vecf2,w,av,HP)
/dports/science/PETSc/petsc-3.14.1/src/mat/impls/aij/seq/cholmod/
H A Daijcholmod.c10 const PetscInt *ai = aij->i,*aj = aij->j,*adiag; in MatWrapCholmod_seqaij() local
17 adiag = aij->diag; in MatWrapCholmod_seqaij()
18 for (i=0,nz=0; i<m; i++) nz += ai[i+1] - adiag[i]; in MatWrapCholmod_seqaij()
27 for (j=adiag[i]; j<ai[i+1]; j++,k++) { in MatWrapCholmod_seqaij()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/solvation/
H A Dcosmo_params.fh5 double precision adiag,dsurf,dvol,srfmol,volmol,ptspatm
12 common/hnd_cosdat/adiag,dsurf,dvol,srfmol,volmol,ptspatm
/dports/science/nwchem-data/nwchem-7.0.2-release/src/solvation/
H A Dcosmo_params.fh5 double precision adiag,dsurf,dvol,srfmol,volmol,ptspatm
12 common/hnd_cosdat/adiag,dsurf,dvol,srfmol,volmol,ptspatm
/dports/math/geogram/geogram-1.7.7/src/lib/geogram/third_party/HLBFGS/
H A DICFS.cpp40 /* Subroutine */int dicfs_(int *n, int *nnz, double *a, double *adiag, in dicfs_() argument
152 --adiag; in dicfs_()
166 wa1[i__] = adiag[i__] * adiag[i__]; in dicfs_()
216 if (adiag[i__] == 0.) in dicfs_()
222 *alpha = std::max<double>(*alpha, -adiag[i__] * (wa2[i__] in dicfs_()
250 ldiag[j] = adiag[j] * (wa2[j] * wa2[j]) + *alpha; in dicfs_()

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