/dports/science/PETSc/petsc-3.14.1/src/mat/impls/aij/seq/ftn-kernels/ |
H A D | frelax.F90 | 7 & 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:*) [all …]
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H A D | fsolve.F90 | 9 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))
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/test/ |
H A D | test_diis.py | 26 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 [all …]
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/dports/math/R-cran-magic/magic/man/ |
H A D | adiag.Rd | 1 \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)) [all …]
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H A D | apad.Rd | 41 \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}}}
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/dports/math/R-cran-magic/magic/tests/ |
H A D | aaa.R | 118 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) & [all …]
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/dports/science/PETSc/petsc-3.14.1/src/mat/impls/baij/seq/ |
H A D | baijfact81.c | 127 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 …]
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H A D | baijsolvnat1.c | 102 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()
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H A D | baijsolvnat14.c | 11 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() [all …]
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H A D | baijsolvnat2.c | 69 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()
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H A D | baijsolvtrannat1.c | 7 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()
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H A D | baijsolvnat3.c | 75 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()
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H A D | baijsolvnat11.c | 11 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()
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H A D | baijsolvtran1.c | 9 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()
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H A D | baijsolv.c | 217 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 …]
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H A D | baijsolvnat5.c | 77 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()
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/dports/science/PETSc/petsc-3.14.1/src/mat/impls/baij/seq/ftn-kernels/ |
H A D | fsolvebaij.F90 | 10 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 [all …]
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/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | testjade.cpp | 158 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()
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H A D | jade.cpp | 42 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()
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/dports/science/xtb/xtb-6.4.1/src/ |
H A D | david2.f90 | 50 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)
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H A D | david.f | 58 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)
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/dports/science/PETSc/petsc-3.14.1/src/mat/impls/aij/seq/cholmod/ |
H A D | aijcholmod.c | 10 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()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/solvation/ |
H A D | cosmo_params.fh | 5 double precision adiag,dsurf,dvol,srfmol,volmol,ptspatm 12 common/hnd_cosdat/adiag,dsurf,dvol,srfmol,volmol,ptspatm
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/solvation/ |
H A D | cosmo_params.fh | 5 double precision adiag,dsurf,dvol,srfmol,volmol,ptspatm 12 common/hnd_cosdat/adiag,dsurf,dvol,srfmol,volmol,ptspatm
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/dports/math/geogram/geogram-1.7.7/src/lib/geogram/third_party/HLBFGS/ |
H A D | ICFS.cpp | 40 /* 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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