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/dports/math/R-cran-bdsmatrix/bdsmatrix/R/
H A Dbdsmatrix.reconcile.R66 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 …]
/dports/math/R-cran-ipred/ipred/R/
H A Dssubset.R12 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]]))
H A Dkfoldcv.R16 kmat <- matrix(0, ncol=k, nrow=length(nlevel)) functionVar
18 kmat[i,] <- kfoldcv(k, nlevel[i])
19 return(kmat)
/dports/science/elk/elk-7.2.42/src/
H A Dputkmat.f9047 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)
H A Denergy.f90200 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)
H A Drdmdkdc.f9035 call getkmat(ik,kmat)
36 call zgemm('N','N',nstsv,nstsv,nstsv,zone,kmat,nstsv,evecsv,nstsv,zzero, &
H A Dtimestep.f9058 call getkmat(ik,kmat)
62 call genhmlt(ik,vmt,vir,bmt,bsir,kmat,pmat,evectv)
109 call engyknk(ik,kmat,evecsv,evecsvt)
/dports/math/R-cran-VGAM/VGAM/R/
H A Dfamily.nbd.R335 (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 …]
H A Dfamily.zeroinf.R1338 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 …]
H A Dfamily.positive.R675 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 …]
/dports/math/gap/gap-4.11.0/pkg/RingsForHomalg-2019.12.08/examples/
H A DFromAndToMatrix.g11 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 );
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/pcm/
H A Dpcm_parallel.F90124 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
H A Dpcm_integrals.F90229 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
/dports/science/afni/afni-AFNI_21.3.16/src/
H A D1dSEM.c489 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 …]
/dports/science/healpix/Healpix_3.50/src/idl/misc/
H A Drodrigues_matrix.pro68 kmat = [[ 0, -v[2], v[1]],$
79 rot = diag_matrix([1,1,1]) + s1 * kmat + (1-c1) * kmat#kmat
/dports/graphics/dataplot/dataplot-2c1b27601a3b7523449de612613eadeead9a8f70/lib/macros/
H A DE691BPK1.DP23 let ky klab kmat = k consistency statistic y labcode matcode
54 box plot ky kmat
57 delete ky klab kmat
H A DE691BPK2.DP24 let ky klab kmat = k consistency statistic y labcode matcode
58 delete ky klab kmat
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_onecenter.F100 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_onecenter.F100 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Datom_electronic_structure.F141 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Datom_electronic_structure.F141 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 …]
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/hotint/HotInt_V1/ElementsLib/constraints/
H A DSDA_constraints.cpp1801 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 …]
/dports/science/bagel/bagel-1.2.2/src/grad/
H A Dgradtask.hpp95 …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()
/dports/science/bagel/bagel-1.2.2/src/pt2/nevpt2/
H A Dnevpt2_mat.cpp42 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()
/dports/science/elmerfem/elmerfem-release-9.0/fem/tests/beam-springs/
H A DMakefile9 /bin/rm mon.out kmat.* test.log

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