/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/tests/unit/ |
H A D | unit_Laplace_EigenValues.cpp | 67 EigenElements eigs=eigenInternSolve(A, _nev=60, _mode=_krylovSchur, _which="SM"); in unit_Laplace_EigenValues() local 69 out<<eigs; in unit_Laplace_EigenValues()
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lcao/ |
H A D | test_lcao_hamiltonian.py | 29 eigs = calc.get_eigenvalues(kpt=2) 34 assert abs(sum(eigs - eigs2)) < 1e-8
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/dports/math/scilab/scilab-6.1.1/scilab/modules/linear_algebra/tests/nonreg_tests/ |
H A D | bug_12992.dia.ref | 20 cld = eigs(A, B, k, sigma); 23 [d, v] = eigs(A, B, k, sigma);
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H A D | bug_12992.tst | 23 cld = eigs(A, B, k, sigma); 26 [d, v] = eigs(A, B, k, sigma);
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/dports/science/madness/madness-ebb3fd7/src/apps/hf/ |
H A D | test_be.cc | 186 std::vector<double> eigs; in test_hf_be() local 187 eigs.push_back(-5.0); in test_hf_be() 188 eigs.push_back(-0.5); in test_hf_be() 195 DFT<double,3> dftcalc(world, rhon, phis, eigs, params); in test_hf_be()
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H A D | test_coulomb.cc | 335 std::vector<double> eigs; in test_he() local 336 eigs.push_back(-5.0); in test_he() 340 DFT<double,3> dft(world, Vnuc, phis, eigs, thresh, true); in test_he()
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/dports/science/bagel/bagel-1.2.2/src/ci/ras/ |
H A D | rasci.cc | 133 VectorB eigs(nguess); in model_guess() local 134 spin->diagonalize(eigs); in model_guess() 139 if (fabs(eigs(start) - target_spin) < 1.0e-8) break; in model_guess() 141 if (fabs(eigs(end) - target_spin) > 1.0e-8) break; in model_guess() 148 hamiltonian->diagonalize(eigs); in model_guess() 153 cout << setw(12) << setprecision(8) << eigs(i) + nuc_core << endl; in model_guess()
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/dports/cad/PrusaSlicer/PrusaSlicer-version_2.3.3/src/libigl/igl/ |
H A D | eigs.cpp | 21 IGL_INLINE bool igl::eigs( in eigs() function in igl 172 template bool igl::eigs<double, double, Eigen::Matrix<double, -1, -1, 0, -1, -1>, Eigen::Matrix<dou… 174 template bool igl::eigs<double, double, Eigen::Matrix<double,-1,-1,0,-1,-1>, Eigen::Matrix<double,-…
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/dports/graphics/wings/libigl-2.1.0/include/igl/ |
H A D | eigs.cpp | 21 IGL_INLINE bool igl::eigs( in eigs() function in igl 172 template bool igl::eigs<double, double, Eigen::Matrix<double, -1, -1, 0, -1, -1>, Eigen::Matrix<dou… 174 template bool igl::eigs<double, double, Eigen::Matrix<double,-1,-1,0,-1,-1>, Eigen::Matrix<double,-…
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/dports/science/octopus/octopus-10.5/src/utils/ |
H A D | unfold.F90 | 354 FLOAT, allocatable :: pkm(:,:), ake(:,:), eigs(:) 410 SAFE_ALLOCATE(eigs(1:nenergy)) 412 eigs(ie) = eigmin - nextend * de + (ie - 1) * de 535 ((eigs(ie) - st%eigenval(ist, ik))**2 + (M_THREE * de)**2) 541 write(file_ake, '(1es19.12,1x,1es19.12)') eigs(ie), ake(ie, ik) 564 eigs(ie), ake(ie, ik) 571 SAFE_DEALLOCATE_A(eigs)
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/dports/misc/vxl/vxl-3.3.2/core/vpgl/algo/ |
H A D | vpgl_em_compute_5_point.hxx | 387 vnl_complex_eigensystem eigs(action_matrix, zeros); in compute_e_matrices() local 389 for (unsigned int i = 0; i < eigs.W.size(); ++i) { in compute_e_matrices() 390 if (std::abs(eigs.W[i].imag()) <= tolerance) in compute_e_matrices() 394 double w_inv = 1.0 / eigs.R.get(i, 9).real(); in compute_e_matrices() 395 double x = eigs.R.get(i, 6).real() * w_inv; in compute_e_matrices() 396 double y = eigs.R.get(i, 7).real() * w_inv; in compute_e_matrices() 397 double z = eigs.R.get(i, 8).real() * w_inv; in compute_e_matrices()
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/dports/math/py-statsmodels/statsmodels-0.13.1/statsmodels/regression/ |
H A D | dimred.py | 88 results = DimReductionResults(self, params, eigs=a) 260 results = DimReductionResults(self, params, eigs=None) 325 results = DimReductionResults(self, params, eigs=a) 422 results = DimReductionResults(self, params, eigs=a) 439 def __init__(self, model, params, eigs): 442 self.eigs = eigs 696 results = DimReductionResults(self, params, eigs=None)
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/dports/math/primme/primme-3.2/R/ |
H A D | Makefile | 15 rm -rf inst/include src/primme/include src/primme/linalg src/primme/eigs src/primme/svds 16 …mkdir -p src/primme inst/include src/primme/include src/primme/linalg src/primme/eigs src/primme/s…
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/dports/math/py-primme/primme-3.2/R/ |
H A D | Makefile | 15 rm -rf inst/include src/primme/include src/primme/linalg src/primme/eigs src/primme/svds 16 …mkdir -p src/primme inst/include src/primme/include src/primme/linalg src/primme/eigs src/primme/s…
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/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/tests/dev/ |
H A D | dev_plaque_anisotrope.cpp | 76 EigenElements eigs = eigenSolve(A, B, _nev=n, _which="SM", _tolerance=1.0e-12); in dev_plaque_anisotrope() local 83 Complex lk=eigs.value(k); in dev_plaque_anisotrope() 97 evs(m)=eigs.vector(rit->second)(u); in dev_plaque_anisotrope() 103 betas(m) = eigs.value(it->second); in dev_plaque_anisotrope() 105 evs(m)=eigs.vector(it->second)(u); in dev_plaque_anisotrope()
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/dports/science/bagel/bagel-1.2.2/src/asd/dmrg/ |
H A D | asd_dmrg.cc | 207 VectorB eigs(subspace.ndim()); in project_active() local 208 subfock.diagonalize(eigs); in project_active() 229 VectorB eigs(nactive); in project_active() local 230 SVD.diagonalize(eigs); in project_active() 247 VectorB eigs(projected.mdim()); in project_active() local 248 shared_ptr<const Matrix> active_transformation = fockmo.diagonalize_blocks(eigs, active_sizes_); in project_active()
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/dports/science/qmcpack/qmcpack-3.11.0/utils/afqmctools/afqmctools/wavefunction/ |
H A D | pbc.py | 56 (eigs, orbs, ks, bands) = generate_orbitals(fock, X, nmo_pk, rediag, ortho_ao, 58 re_occ, trial, ndeg, srt, isrt = reoccupy(mo_occ, eigs, uhf, verbose, 74 print_eigenvalues(ks, bands, eigs, uhf, srt, nelec, verbose) 152 def print_eigenvalues(ks, bands, eigs, uhf, srt, nelec, verbose): argument 159 eigs_a, eigs_b = eigs 178 eigs_a, eigs_b = eigs
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/dports/biology/mothur/mothur-1.46.1/source/calculators/ |
H A D | calculator.cpp | 307 …, vector<int> nb2, double& p, double& dp, double& d2p, double& tt, double eigs[20], double probs[2… in predict() 315 double elambdat = exp(tt * eigs[l]); in predict() 324 dp += eigs[l] * q; in predict() 326 double TEMP = eigs[l]; in predict() 404 double DistCalc::makeDists(Protein A, Protein B, double eigs[20], double probs[20][20]){ in makeDists() 440 predict(numAs, numBs, p, dp, d2p, tt, eigs, probs); in makeDists()
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/dports/science/PETSc/petsc-3.14.1/src/ksp/ksp/interface/ |
H A D | eige.c | 250 PetscScalar *work,*eigs; in KSPComputeEigenvaluesExplicitly() local 259 ierr = PetscMalloc1(n,&eigs);CHKERRQ(ierr); in KSPComputeEigenvaluesExplicitly() 266 …PetscStackCallBLAS("LAPACKgeev",LAPACKgeev_("N","N",&nb,array,&nb,eigs,&sdummy,&idummy,&sdummy,&id… in KSPComputeEigenvaluesExplicitly() 274 for (i=0; i<n; i++) r[i] = PetscRealPart(eigs[i]); in KSPComputeEigenvaluesExplicitly() 277 r[i] = PetscRealPart(eigs[perm[i]]); in KSPComputeEigenvaluesExplicitly() 278 c[i] = PetscImaginaryPart(eigs[perm[i]]); in KSPComputeEigenvaluesExplicitly() 281 ierr = PetscFree(eigs);CHKERRQ(ierr); in KSPComputeEigenvaluesExplicitly()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
H A D | rak18.F | 194 subroutine print_Sld(eigs,eigvec,n,lunit) 197 double precision eigs(n) 208 write(lunit,10000)(eigs(ival),ival=ivallo,ivalhi)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
H A D | rak18.F | 194 subroutine print_Sld(eigs,eigvec,n,lunit) 197 double precision eigs(n) 208 write(lunit,10000)(eigs(ival),ival=ivallo,ivalhi)
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/dports/math/xlife++/xlifepp-sources-v2.0.1-2018-05-09/src/utils/ |
H A D | EigenInterface.cpp | 82 void eigs(const real_t* A, number_t m, complex_t* Xs, complex_t* ls) in eigs() function 99 void eigs(const complex_t* A, number_t m, complex_t* Xs, complex_t* ls) in eigs() function 122 void eigs(const real_t* A, const real_t* B, number_t m, complex_t* Xs, complex_t* ls) in eigs() function
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/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/CSparse/MATLAB/Test/ |
H A D | cs_fiedler.m | 19 opt.disp = 0 ; % turn off printing in eigs 23 [v,d] = eigs (S, 2, 'SA', opt) ; % find the Fiedler vector v
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/dports/math/suitesparse-csparse/SuiteSparse-5.10.1/CSparse/MATLAB/Test/ |
H A D | cs_fiedler.m | 19 opt.disp = 0 ; % turn off printing in eigs 23 [v,d] = eigs (S, 2, 'SA', opt) ; % find the Fiedler vector v
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/dports/math/suitesparse-klu/SuiteSparse-5.10.1/CSparse/MATLAB/Test/ |
H A D | cs_fiedler.m | 19 opt.disp = 0 ; % turn off printing in eigs 23 [v,d] = eigs (S, 2, 'SA', opt) ; % find the Fiedler vector v
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