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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/eigensolvers/
H A D__init__.py7 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 …]
/dports/science/qmcpack/qmcpack-3.11.0/src/formic/utils/lmyengine/
H A Dupdater.h193 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 …]
/dports/science/octopus/octopus-10.5/testsuite/finite_systems_3d/
H A DMakefile.am90 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 \
/dports/math/eigen3/eigen-3.3.9/doc/examples/
H A DTutorialLinAlgSelfAdjointEigenSolver.cpp12 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()
/dports/math/stanmath/math-4.2.0/lib/eigen_3.3.9/doc/examples/
H A DTutorialLinAlgSelfAdjointEigenSolver.cpp12 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()
/dports/math/libmesh/libmesh-1.6.2/contrib/eigen/3.2.9/doc/examples/
H A DTutorialLinAlgSelfAdjointEigenSolver.cpp12 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()
/dports/math/libsemigroups/libsemigroups-1.3.7/extern/eigen-3.3.7/doc/examples/
H A DTutorialLinAlgSelfAdjointEigenSolver.cpp12 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()
/dports/misc/opennn/opennn-5.0.5/eigen/doc/examples/
H A DTutorialLinAlgSelfAdjointEigenSolver.cpp12 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()
/dports/devel/taskflow/taskflow-3.2.0/3rd-party/eigen-3.3.7/doc/examples/
H A DTutorialLinAlgSelfAdjointEigenSolver.cpp12 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()
/dports/science/py-avogadrolibs/avogadrolibs-1.94.0/avogadro/qtplugins/qtaim/
H A Dqtaimmathutilities.cpp30 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 …]
/dports/science/avogadrolibs/avogadrolibs-1.94.0/avogadro/qtplugins/qtaim/
H A Dqtaimmathutilities.cpp30 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 …]
/dports/math/spooles-mpich/spooles.2.2_SHARED/Eigen/doc/
H A Dintro.tex4 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 …]
/dports/math/spooles-mpich/spooles.2.2/Eigen/doc/
H A Dintro.tex4 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 …]
/dports/math/spooles/spooles.2.2/Eigen/doc/
H A Dintro.tex4 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 …]
/dports/math/spooles/spooles.2.2_SHARED/Eigen/doc/
H A Dintro.tex4 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 …]
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/parallel/
H A Dtest_diamond_gllb.py19 eigensolver = 'rmm-diis'
29 eigensolver=eigensolver,
39 eigensolver=eigensolver)
H A Dtest_augment_grid.py21 eigensolver = 'rmm-diis'
23 eigensolver = None
34 eigensolver=eigensolver,
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_math/
H A Dmake.deps36 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)
/dports/math/libmesh/libmesh-1.6.2/contrib/eigen/3.2.9/test/
H A Deigensolver_generic.cpp15 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()
/dports/math/cgal/CGAL-5.3/include/CGAL/
H A DEigen_diagonalize_traits.h97 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();
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lrtddft/
H A Dtest_kssingles_Be.py23 eigensolver = None
41 eigensolver=eigensolver,
47 eigensolver=eigensolver, txt=txt)
/dports/math/chaco/Chaco-2.2/code/input/
H A Dinput.c39 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) {
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/pathological/
H A Dtest_nonlocalset.py28 eigensolver='cg',
38 eigensolver='cg', kpts=(4, 1, 1),
46 eigensolver='cg', kpts=(1, 2, 1),
56 eigensolver='cg', kpts=(4, 1, 1),
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/dscf/
H A Ddscf_forces.py14 eigensolver = 'cg'
32 eigensolver=eigensolver,
50 eigensolver=eigensolver,
/dports/math/eigen3/eigen-3.3.9/test/
H A Deigensolver_generic.cpp15 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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