/dports/math/R-cran-bdsmatrix/bdsmatrix/R/ |
H A D | bdsmatrix.reconcile.R | 66 kmat <- varlist[[j]] functionVar 67 if(ismat(kmat)) { 85 kmat <- kmat[indx, indx] 92 rcol <- length(kmat@rmat)/nrow(kmat) 114 kmat <- varlist[[i]] 117 kmat <- kmat(group) 146 temp <- c(0, kmat@blocks, kmat@rmat) 191 block2 <- (rep(1:length(kmat@blocksize), kmat@blocksize)) 237 kmat <- varlist[[i]] 239 kmat <- kmat(group) [all …]
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/dports/math/R-cran-ipred/ipred/R/ |
H A D | ssubset.R | 12 kmat <- kfoldcv(k, N, nlevel) functionVar 14 sset <- kmat[,i] 18 kindx <- c(kindx, nindx[[j]][(sum(kmat[j, 19 1:(i-1)])+1):sum(kmat[j,1:i])]) 21 kindx <- c(kindx, nindx[[j]][1:kmat[j,1]]) 28 kmat <- kfoldcv(k, N) 33 list(nindx[(sum(kmat[1:(i-1)])+1):sum(kmat[1:i])])) 35 outindx <- c(outindx, list(nindx[1:kmat[1]]))
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H A D | kfoldcv.R | 16 kmat <- matrix(0, ncol=k, nrow=length(nlevel)) functionVar 18 kmat[i,] <- kfoldcv(k, nlevel[i]) 19 return(kmat)
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/dports/science/elk/elk-7.2.42/src/ |
H A D | putkmat.f90 | 47 call genvbmatk(vmt,vir,bmt,bir,ngk(:,ik),igkig(:,:,ik),wfmt,ngkmax,wfgk,kmat) 49 call genvmatk(vmt,vir,ngk(:,ik),igkig(:,:,ik),wfmt,ngkmax,wfgk,kmat) 58 kmat(ist,ist)=kmat(ist,ist)+evalsv(ist,ik) 64 kmat(ist,ist)=kmat(ist,ist)+scissor 72 call zgemm('N','C',nstsv,nstsv,nstsv,zone,kmat,nstsv,evecsv,nstsv,zzero,a, & 74 call zgemm('N','N',nstsv,nstsv,nstsv,zone,evecsv,nstsv,a,nstsv,zzero,kmat, & 86 call putrd('KMAT.OUT',ik,v1=vkl(:,ik),n1=nstsv,nzv=nstsv*nstsv,zva=kmat)
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H A D | energy.f90 | 200 allocate(evecsv(nstsv,nstsv),kmat(nstsv,nstsv),c(nstsv,nstsv)) 204 call getkmat(ik,kmat) 205 call zgemm('N','N',nstsv,nstsv,nstsv,zone,kmat,nstsv,evecsv,nstsv,zzero,c, & 212 deallocate(evecsv,kmat,c)
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H A D | rdmdkdc.f90 | 35 call getkmat(ik,kmat) 36 call zgemm('N','N',nstsv,nstsv,nstsv,zone,kmat,nstsv,evecsv,nstsv,zzero, &
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H A D | timestep.f90 | 58 call getkmat(ik,kmat) 62 call genhmlt(ik,vmt,vir,bmt,bsir,kmat,pmat,evectv) 109 call engyknk(ik,kmat,evecsv,evecsvt)
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/dports/math/R-cran-VGAM/VGAM/R/ |
H A D | family.nbd.R | 335 (kmat / (kmat + munb - munb * exp(x * 1i)))^kmat 499 kmat <- NULL functionVar 528 if (is.null(kmat)) 778 dl.dmunb <- y / munb - (1 + y/kmat) / (1 + munb/kmat) 779 dl.dsize <- digamma(y + kmat) - digamma(kmat) + 780 log1p(-munb / (kmat + munb)) - (y - munb) / (munb + kmat) 791 dl.dsize <- digamma(y + kmat) - digamma(kmat) + 914 wz[, !vecTF] <- wz[, !vecTF] + 1 / kmat - 1 / (kmat + munb) 1323 dl.dkayy <- digamma(y + kmat) - digamma(kmat) + log(pmat) 1812 dl.dkayy <- digamma(y + kmat) - digamma(kmat) + log(pmat) [all …]
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H A D | family.zeroinf.R | 1338 dl.dmunb <- y / munb - (1 + y/kmat) / (1 + munb/kmat) + 1340 dl.dsize <- digamma(y + kmat) - digamma(kmat) - 1397 ((1 + mymu/kmat) / kmat) / (1 + munb/kmat)^2 - 1963 dl.dsize <- digamma(y + kmat) - digamma(kmat) - 2029 ((1 + mymu/kmat) / kmat) / (1 + munb/kmat)^2 - 4300 dl.dmunb <- y / munb - (1 + y/kmat) / (1 + munb/kmat) 4301 dl.dsize <- digamma(y + kmat) - digamma(kmat) - 4503 ((1 + mymu/kmat) / kmat) / (1 + munb/kmat)^2) - 4975 dl.dmunb <- y / munb - (1 + y/kmat) / (1 + munb/kmat) 4976 dl.dsize <- digamma(y + kmat) - digamma(kmat) - [all …]
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H A D | family.positive.R | 675 if (any(ind4 <- (kmat < small.size))) { 678 kmat[ind4] <- small.size 682 prob0 <- tempk^kmat 819 tempm <- munb / (kmat + munb) 820 prob0 <- tempk^kmat 825 df02.dmunb2 <- prob0 * tempk * (1 + 1/kmat) / (1 + munb/kmat) 827 df02.dkmat.dmunb <- -prob0 * (tempm/kmat + AA16) / (1 + munb/kmat) 859 dl.dmunb <- y / munb - (1 + y/kmat) / (1 + munb/kmat) + 861 dl.dsize <- digamma(y + kmat) - digamma(kmat) - 952 kkvec <- kmat[ii.TF, jay] [all …]
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/dports/math/gap/gap-4.11.0/pkg/RingsForHomalg-2019.12.08/examples/ |
H A D | FromAndToMatrix.g | 11 kmat := ConvertMatrixToRow( wmat ); 12 Display( kmat ); 13 hmat := ConvertRowToMatrix( kmat, r, c ); 15 kmat := ConvertMatrixToColumn( wmat ); 16 Display( kmat ); 17 hmat := ConvertColumnToMatrix( kmat, r, c );
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/pcm/ |
H A D | pcm_parallel.F90 | 124 integer :: kintrp, klast, klst1, kmat, kpatom local 196 kmat = ktmp + 8 198 klast = kmat + (maxrep + 1)*matdim 200 klast = kmat + (maxrep + 1)*matdim*ncomp 204 kmat = ktmp + 8 205 klast = kmat 209 call get1in(work(kmat), intlab, ncomp, work(klast), lwrk, labint, & 215 jadr = kmat + (iosim - 1)*matdim 228 kadr = kmat + (ksymp - 1)*matdim
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H A D | pcm_integrals.F90 | 229 integer :: kmat, kpatom, ktmp, l, lwrk, matdim, nbastold local 313 kmat = ktmp + 8 315 klast1 = kmat + (maxrep + 1)*matdim 317 klast1 = kmat + (maxrep + 1)*matdim*ncomp 321 kmat = ktmp + 8 322 klast1 = kmat 326 call get1in(work(kmat),intlab,ncomp,work(klast1),lwrk1,labint, & 330 jmat = kmat 341 iadr = kmat + (ksymp - 1)*matdim
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/dports/science/afni/afni-AFNI_21.3.16/src/ |
H A D | 1dSEM.c | 489 n = kmat->n; in ModelSearch() 490 mat = kmat->mat; in ModelSearch() 665 EQUIV_SQRMAT(bestkmat,kmat); in GrowAllModels() 740 KILL_SQRMAT(kmat); in FreeGlobals() 786 lndet_kkt = sm_lndet_iktk(kmat); in SEM_Powell_cost_fun() 821 EQUIV_SQRMAT(thetamat, kmat); in SEM_cost_fun() 892 imk = sm_subtract(i_mat, kmat); in ComputeInvSigma() 935 mat = kmat->mat; in fill_kmat() 936 n = kmat->n; in fill_kmat() 975 mat = kmat->mat; in fill_theta() [all …]
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/dports/science/healpix/Healpix_3.50/src/idl/misc/ |
H A D | rodrigues_matrix.pro | 68 kmat = [[ 0, -v[2], v[1]],$ 79 rot = diag_matrix([1,1,1]) + s1 * kmat + (1-c1) * kmat#kmat
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/dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/lib/macros/ |
H A D | E691BPK1.DP | 23 let ky klab kmat = k consistency statistic y labcode matcode 54 box plot ky kmat 57 delete ky klab kmat
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H A D | E691BPK2.DP | 24 let ky klab kmat = k consistency statistic y labcode matcode 58 delete ky klab kmat
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
H A D | ai_onecenter.F | 100 SUBROUTINE sg_kinetic(kmat, l, pa, pb) argument 102 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: kmat local 114 CPASSERT(.NOT. (n > SIZE(kmat, 1) .OR. m > SIZE(kmat, 2))) 729 SUBROUTINE sto_kinetic(kmat, l, na, pa, nb, pb) argument 731 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: kmat local 746 CPASSERT(.NOT. (n > SIZE(kmat, 1) .OR. m > SIZE(kmat, 2))) 757 kmat(ip, iq) = 0.5_dp*pa(ip)*pb(iq)/SQRT(vp*vq)* & 935 SUBROUTINE num_kinetic(kmat, l, ra, dra, rb, drb, r, wr) argument 937 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: kmat local 949 CPASSERT(.NOT. (n > SIZE(kmat, 1) .OR. m > SIZE(kmat, 2))) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
H A D | ai_onecenter.F | 100 SUBROUTINE sg_kinetic(kmat, l, pa, pb) argument 102 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: kmat local 114 CPASSERT(.NOT. (n > SIZE(kmat, 1) .OR. m > SIZE(kmat, 2))) 729 SUBROUTINE sto_kinetic(kmat, l, na, pa, nb, pb) argument 731 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: kmat local 746 CPASSERT(.NOT. (n > SIZE(kmat, 1) .OR. m > SIZE(kmat, 2))) 757 kmat(ip, iq) = 0.5_dp*pa(ip)*pb(iq)/SQRT(vp*vq)* & 935 SUBROUTINE num_kinetic(kmat, l, ra, dra, rb, drb, r, wr) argument 937 REAL(KIND=dp), DIMENSION(:, :), INTENT(OUT) :: kmat local 949 CPASSERT(.NOT. (n > SIZE(kmat, 1) .OR. m > SIZE(kmat, 2))) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | atom_electronic_structure.F | 141 TYPE(opmat_type), POINTER :: fmat, hcore, jmat, kmat, xcmat local 231 NULLIFY (fmat, jmat, kmat, xcmat) 234 CALL create_opmat(kmat, atom%basis%nbas) 322 kmat%op = 0._dp 327 … CALL eeri_contract(kmat%op, atom%integrals%eeri, atom%orbitals%pmat, atom%integrals%n) 331 …CALL exchange_numeric(kmat%op, atom%state, atom%state%occupation, atom%orbitals%wfn, atom%basis, a… 333 atom%energy%eexchange = hf_frac*0.5_dp*atom_trace(kmat%op, atom%orbitals%pmat) 334 kmat%op = hf_frac*kmat%op 336 kmat%op = 0._dp 366 fmat%op = hcore%op + jmat%op + kmat%op + xcmat%op [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | atom_electronic_structure.F | 141 TYPE(opmat_type), POINTER :: fmat, hcore, jmat, kmat, xcmat local 231 NULLIFY (fmat, jmat, kmat, xcmat) 234 CALL create_opmat(kmat, atom%basis%nbas) 322 kmat%op = 0._dp 327 … CALL eeri_contract(kmat%op, atom%integrals%eeri, atom%orbitals%pmat, atom%integrals%n) 331 …CALL exchange_numeric(kmat%op, atom%state, atom%state%occupation, atom%orbitals%wfn, atom%basis, a… 333 atom%energy%eexchange = hf_frac*0.5_dp*atom_trace(kmat%op, atom%orbitals%pmat) 334 kmat%op = hf_frac*kmat%op 336 kmat%op = 0._dp 366 fmat%op = hcore%op + jmat%op + kmat%op + xcmat%op [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/hotint/HotInt_V1/ElementsLib/constraints/ |
H A D | SDA_constraints.cpp | 1801 Matrix kmat(3,3),dmat(3,3); in GetElementData() local 1806 kmat(i,j) = k(i,j); in GetElementData() 1846 Matrix kmat(3,3),dmat(3,3); in SetElementData() local 1853 k(i,j) = kmat(i,j); in SetElementData() 2263 Matrix kmat(2,2),dmat(2,2); in GetElementData() local 2268 kmat(i,j) = k(i,j); in GetElementData() 2308 Matrix kmat(2,2),dmat(2,2); in SetElementData() local 2315 k(i,j) = kmat(i,j); in SetElementData() 2547 Matrix kmat(3,3),dmat(3,3); in GetElementData() local 2552 kmat(i,j) = k(i,j); in GetElementData() [all …]
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/dports/science/bagel/bagel-1.2.2/src/grad/ |
H A D | gradtask.hpp | 95 …const std::shared_ptr<const Matrix> nmat, const std::shared_ptr<const Matrix> kmat, const std::sha… in GradTask1() argument 96 : GradTask(a, o, p), shell_(s), den2_(nmat), den3_(kmat), eden_(omat) { } in GradTask1() 114 …const std::shared_ptr<const Matrix> vmat, const std::shared_ptr<const Matrix> kmat, const std::sha… in GradTask1s() argument 115 : GradTask(a, o, p), shell_(s), den2_(omat), den3_(kmat), eden_(vmat) { } in GradTask1s()
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/dports/science/bagel/bagel-1.2.2/src/pt2/nevpt2/ |
H A D | nevpt2_mat.cpp | 42 auto kmat = make_shared<MatType>(nact_, nact_, true); in compute_kmat() local 43 btas::contract(1.0, *fockact_c_, {0,1}, *rdm1_, {2,1}, 0.0, *kmat, {0,2}); in compute_kmat() 44 *kmat += *qvec_; in compute_kmat() 46 kmat = kmat->get_conjg(); in compute_kmat() 47 kmat->localize(); in compute_kmat() 50 auto kmatp = make_shared<MatType>(*kmat * (-1.0)); in compute_kmat() 54 kmat_ = kmat; in compute_kmat()
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/dports/science/elmerfem/elmerfem-release-9.0/fem/tests/beam-springs/ |
H A D | Makefile | 9 /bin/rm mon.out kmat.* test.log
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