/dports/science/py-gpaw/gpaw-21.6.0/gpaw/eigensolvers/ |
H A D | __init__.py | 7 from gpaw.lcao.eigensolver import DirectLCAO 12 if eigensolver is None: 14 eigensolver = 'lcao' 16 eigensolver = 'dav' 18 if isinstance(eigensolver, str): 19 eigensolver = {'name': eigensolver} 21 if isinstance(eigensolver, dict): 22 eigensolver = eigensolver.copy() 23 name = eigensolver.pop('name') 31 if isinstance(eigensolver, CG): [all …]
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/dports/science/qmcpack/qmcpack-3.11.0/src/formic/utils/lmyengine/ |
H A D | updater.h | 193 eigensolver -> reset(); in engine_update_build_matrix() 194 eigensolver -> update_lm_shift(x, y); in engine_update_build_matrix() 208 eigensolver -> convert_to_wf_coeff(); in engine_update_build_matrix() 232 eigensolver -> reset(); in engine_update_build_matrix() 318 eigensolver -> reset(); in engine_update_build_matrix() 319 eigensolver -> update_lm_shift(x, y); in engine_update_build_matrix() 357 eigensolver -> reset(); in engine_update_build_matrix() 468 eigensolver -> update_lm_shift(x, y); in engine_update_no_matrix() 511 eigensolver -> reset(); in engine_update_no_matrix() 635 eigensolver -> update_lm_shift(x, y); in engine_update_spam() [all …]
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/dports/science/octopus/octopus-10.5/testsuite/finite_systems_3d/ |
H A D | Makefile.am | 90 20-eigensolver.01-lobpcg.inp \ 91 20-eigensolver.02-cg.inp \ 92 20-eigensolver.03-cg_new.inp \ 93 20-eigensolver.04-plan.inp \ 94 20-eigensolver.05-evolution.inp \ 95 20-eigensolver.06-rmmdiis.inp \ 96 20-eigensolver.07-psd.inp \ 97 20-eigensolver.08-rmmdiis-noscalapack.inp \ 98 20-eigensolver.test \
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/dports/math/eigen3/eigen-3.3.9/doc/examples/ |
H A D | TutorialLinAlgSelfAdjointEigenSolver.cpp | 12 SelfAdjointEigenSolver<Matrix2f> eigensolver(A); in main() local 13 if (eigensolver.info() != Success) abort(); in main() 14 cout << "The eigenvalues of A are:\n" << eigensolver.eigenvalues() << endl; in main() 17 << eigensolver.eigenvectors() << endl; in main()
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/dports/math/stanmath/math-4.2.0/lib/eigen_3.3.9/doc/examples/ |
H A D | TutorialLinAlgSelfAdjointEigenSolver.cpp | 12 SelfAdjointEigenSolver<Matrix2f> eigensolver(A); in main() local 13 if (eigensolver.info() != Success) abort(); in main() 14 cout << "The eigenvalues of A are:\n" << eigensolver.eigenvalues() << endl; in main() 17 << eigensolver.eigenvectors() << endl; in main()
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/dports/math/libmesh/libmesh-1.6.2/contrib/eigen/3.2.9/doc/examples/ |
H A D | TutorialLinAlgSelfAdjointEigenSolver.cpp | 12 SelfAdjointEigenSolver<Matrix2f> eigensolver(A); in main() local 13 if (eigensolver.info() != Success) abort(); in main() 14 cout << "The eigenvalues of A are:\n" << eigensolver.eigenvalues() << endl; in main() 17 << eigensolver.eigenvectors() << endl; in main()
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/dports/math/libsemigroups/libsemigroups-1.3.7/extern/eigen-3.3.7/doc/examples/ |
H A D | TutorialLinAlgSelfAdjointEigenSolver.cpp | 12 SelfAdjointEigenSolver<Matrix2f> eigensolver(A); in main() local 13 if (eigensolver.info() != Success) abort(); in main() 14 cout << "The eigenvalues of A are:\n" << eigensolver.eigenvalues() << endl; in main() 17 << eigensolver.eigenvectors() << endl; in main()
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/dports/misc/opennn/opennn-5.0.5/eigen/doc/examples/ |
H A D | TutorialLinAlgSelfAdjointEigenSolver.cpp | 12 SelfAdjointEigenSolver<Matrix2f> eigensolver(A); in main() local 13 if (eigensolver.info() != Success) abort(); in main() 14 cout << "The eigenvalues of A are:\n" << eigensolver.eigenvalues() << endl; in main() 17 << eigensolver.eigenvectors() << endl; in main()
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/dports/devel/taskflow/taskflow-3.2.0/3rd-party/eigen-3.3.7/doc/examples/ |
H A D | TutorialLinAlgSelfAdjointEigenSolver.cpp | 12 SelfAdjointEigenSolver<Matrix2f> eigensolver(A); in main() local 13 if (eigensolver.info() != Success) abort(); in main() 14 cout << "The eigenvalues of A are:\n" << eigensolver.eigenvalues() << endl; in main() 17 << eigensolver.eigenvectors() << endl; in main()
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/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtplugins/qtaim/ |
H A D | qtaimmathutilities.cpp | 30 SelfAdjointEigenSolver<Matrix<qreal, 3, 3>> eigensolver(A); in eigenvaluesOfASymmetricThreeByThreeMatrix() local 31 return eigensolver.eigenvalues(); in eigenvaluesOfASymmetricThreeByThreeMatrix() 37 SelfAdjointEigenSolver<Matrix<qreal, 3, 3>> eigensolver(A); in eigenvectorsOfASymmetricThreeByThreeMatrix() local 38 return eigensolver.eigenvectors(); in eigenvectorsOfASymmetricThreeByThreeMatrix() 44 SelfAdjointEigenSolver<Matrix<qreal, 4, 4>> eigensolver(A); in eigenvaluesOfASymmetricFourByFourMatrix() local 45 return eigensolver.eigenvalues(); in eigenvaluesOfASymmetricFourByFourMatrix() 51 SelfAdjointEigenSolver<Matrix<qreal, 4, 4>> eigensolver(A); in eigenvectorsOfASymmetricFourByFourMatrix() local 52 return eigensolver.eigenvectors(); in eigenvectorsOfASymmetricFourByFourMatrix() 67 SelfAdjointEigenSolver<Matrix<qreal, 3, 3>> eigensolver(A); in signatureOfASymmetricThreeByThreeMatrix() local 68 Matrix<qreal, 3, 1> eigenvalues = eigensolver.eigenvalues(); in signatureOfASymmetricThreeByThreeMatrix() [all …]
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/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtplugins/qtaim/ |
H A D | qtaimmathutilities.cpp | 30 SelfAdjointEigenSolver<Matrix<qreal, 3, 3>> eigensolver(A); in eigenvaluesOfASymmetricThreeByThreeMatrix() local 31 return eigensolver.eigenvalues(); in eigenvaluesOfASymmetricThreeByThreeMatrix() 37 SelfAdjointEigenSolver<Matrix<qreal, 3, 3>> eigensolver(A); in eigenvectorsOfASymmetricThreeByThreeMatrix() local 38 return eigensolver.eigenvectors(); in eigenvectorsOfASymmetricThreeByThreeMatrix() 44 SelfAdjointEigenSolver<Matrix<qreal, 4, 4>> eigensolver(A); in eigenvaluesOfASymmetricFourByFourMatrix() local 45 return eigensolver.eigenvalues(); in eigenvaluesOfASymmetricFourByFourMatrix() 51 SelfAdjointEigenSolver<Matrix<qreal, 4, 4>> eigensolver(A); in eigenvectorsOfASymmetricFourByFourMatrix() local 52 return eigensolver.eigenvectors(); in eigenvectorsOfASymmetricFourByFourMatrix() 67 SelfAdjointEigenSolver<Matrix<qreal, 3, 3>> eigensolver(A); in signatureOfASymmetricThreeByThreeMatrix() local 68 Matrix<qreal, 3, 1> eigenvalues = eigensolver.eigenvalues(); in signatureOfASymmetricThreeByThreeMatrix() [all …]
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/dports/math/spooles-mpich/spooles.2.2_SHARED/Eigen/doc/ |
H A D | intro.tex | 4 The Lanczos eigensolver 28 During the computations, the eigensolver requires the following 39 The Lanczos eigensolver has defined a specific interface with an 41 The eigensolver currently interfaces with the {\bf BCSLIB-EXT} linear 46 that interface with the eigensolver. 50 the eigensolver using the {\bf SPOOLES} library. 72 The ordering is performed prior to any action by the eigensolver. 86 and the eigensolver. 91 sequence convention imposed by the eigensolver, and are passed 92 to the eigensolver at the beginning of the Lanczos run. [all …]
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/dports/math/spooles-mpich/spooles.2.2/Eigen/doc/ |
H A D | intro.tex | 4 The Lanczos eigensolver 28 During the computations, the eigensolver requires the following 39 The Lanczos eigensolver has defined a specific interface with an 41 The eigensolver currently interfaces with the {\bf BCSLIB-EXT} linear 46 that interface with the eigensolver. 50 the eigensolver using the {\bf SPOOLES} library. 72 The ordering is performed prior to any action by the eigensolver. 86 and the eigensolver. 91 sequence convention imposed by the eigensolver, and are passed 92 to the eigensolver at the beginning of the Lanczos run. [all …]
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/dports/math/spooles/spooles.2.2/Eigen/doc/ |
H A D | intro.tex | 4 The Lanczos eigensolver 28 During the computations, the eigensolver requires the following 39 The Lanczos eigensolver has defined a specific interface with an 41 The eigensolver currently interfaces with the {\bf BCSLIB-EXT} linear 46 that interface with the eigensolver. 50 the eigensolver using the {\bf SPOOLES} library. 72 The ordering is performed prior to any action by the eigensolver. 86 and the eigensolver. 91 sequence convention imposed by the eigensolver, and are passed 92 to the eigensolver at the beginning of the Lanczos run. [all …]
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/dports/math/spooles/spooles.2.2_SHARED/Eigen/doc/ |
H A D | intro.tex | 4 The Lanczos eigensolver 28 During the computations, the eigensolver requires the following 39 The Lanczos eigensolver has defined a specific interface with an 41 The eigensolver currently interfaces with the {\bf BCSLIB-EXT} linear 46 that interface with the eigensolver. 50 the eigensolver using the {\bf SPOOLES} library. 72 The ordering is performed prior to any action by the eigensolver. 86 and the eigensolver. 91 sequence convention imposed by the eigensolver, and are passed 92 to the eigensolver at the beginning of the Lanczos run. [all …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/parallel/ |
H A D | test_diamond_gllb.py | 19 eigensolver = 'rmm-diis' 29 eigensolver=eigensolver, 39 eigensolver=eigensolver)
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H A D | test_augment_grid.py | 21 eigensolver = 'rmm-diis' 23 eigensolver = None 34 eigensolver=eigensolver,
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/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_math/ |
H A D | make.deps | 36 eigensolver.o: _mod_dftbp_blas _mod_dftbp_assert common.fypp _mod_dftbp_accuracy _mod_dftbp_lapack … 37 eigensolver.o = eigensolver.o $(_mod_dftbp_blas) $(_mod_dftbp_assert) $(common.fypp) $(_mod_dftbp_a… 38 _mod_dftbp_eigensolver: eigensolver.o 39 _mod_dftbp_eigensolver = $(eigensolver.o) 41 eigensolver.o: _mod_dftbp_blas _mod_dftbp_assert common.fypp _mod_dftbp_accuracy _mod_dftbp_lapack … 42 eigensolver.o = eigensolver.o $(_mod_dftbp_blas) $(_mod_dftbp_assert) $(common.fypp) $(_mod_dftbp_a… 43 _mod_dftbp_eigensolver: eigensolver.o 44 _mod_dftbp_eigensolver = $(eigensolver.o)
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/dports/math/libmesh/libmesh-1.6.2/contrib/eigen/3.2.9/test/ |
H A D | eigensolver_generic.cpp | 15 template<typename MatrixType> void eigensolver(const MatrixType& m) in eigensolver() function 93 CALL_SUBTEST_1( eigensolver(Matrix4f()) ); in test_eigensolver_generic() 95 CALL_SUBTEST_2( eigensolver(MatrixXd(s,s)) ); in test_eigensolver_generic() 98 CALL_SUBTEST_2( eigensolver(MatrixXd(1,1)) ); in test_eigensolver_generic() 99 CALL_SUBTEST_2( eigensolver(MatrixXd(2,2)) ); in test_eigensolver_generic() 100 CALL_SUBTEST_3( eigensolver(Matrix<double,1,1>()) ); in test_eigensolver_generic() 101 CALL_SUBTEST_4( eigensolver(Matrix2d()) ); in test_eigensolver_generic()
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/dports/math/cgal/CGAL-5.3/include/CGAL/ |
H A D | Eigen_diagonalize_traits.h | 97 Eigen::SelfAdjointEigenSolver<EigenMatrix> eigensolver; 101 eigensolver.computeDirect(m); 104 eigensolver.compute(m); 106 if(eigensolver.info() != Eigen::Success) 109 eigenvalues = eigensolver.eigenvalues(); 110 eigenvectors = eigensolver.eigenvectors();
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lrtddft/ |
H A D | test_kssingles_Be.py | 23 eigensolver = None 41 eigensolver=eigensolver, 47 eigensolver=eigensolver, txt=txt)
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/dports/math/chaco/Chaco-2.2/code/input/ |
H A D | input.c | 39 int eigensolver; /* which kind of eigensolver to use */ local 129 eigensolver = 0; 130 while (eigensolver < 1 || eigensolver > 2) { 136 eigensolver = input_int(); 138 if (eigensolver == 1) {
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/pathological/ |
H A D | test_nonlocalset.py | 28 eigensolver='cg', 38 eigensolver='cg', kpts=(4, 1, 1), 46 eigensolver='cg', kpts=(1, 2, 1), 56 eigensolver='cg', kpts=(4, 1, 1),
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/dscf/ |
H A D | dscf_forces.py | 14 eigensolver = 'cg' 32 eigensolver=eigensolver, 50 eigensolver=eigensolver,
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/dports/math/eigen3/eigen-3.3.9/test/ |
H A D | eigensolver_generic.cpp | 15 template<typename MatrixType> void eigensolver(const MatrixType& m) in eigensolver() function 107 CALL_SUBTEST_1( eigensolver(Matrix4f()) ); in test_eigensolver_generic() 109 CALL_SUBTEST_2( eigensolver(MatrixXd(s,s)) ); in test_eigensolver_generic() 113 CALL_SUBTEST_2( eigensolver(MatrixXd(1,1)) ); in test_eigensolver_generic() 114 CALL_SUBTEST_2( eigensolver(MatrixXd(2,2)) ); in test_eigensolver_generic() 115 CALL_SUBTEST_3( eigensolver(Matrix<double,1,1>()) ); in test_eigensolver_generic() 116 CALL_SUBTEST_4( eigensolver(Matrix2d()) ); in test_eigensolver_generic()
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