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(git:08825b9)
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(git:08825b9)
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Public Member Functions | |
| subroutine | quadratic_dense_real (operators, metric, shift, weights, nstates, iterative, max_subspace, max_iter, tolerance, metric_tolerance, result, status) |
| Dense AO oracle, also providing a dense-metric reference for the iterative solver. | |
| subroutine | quadratic_dense_complex (operators, metric, shift, weights, nstates, iterative, max_subspace, max_iter, tolerance, metric_tolerance, result, status, unitary) |
| Dense oracle for general complex queries and possibly non-Hermitian AO operators. | |
Definition at line 29 of file quadratic_pseudospectrum.F.
| subroutine quadratic_pseudospectrum::quadratic_dense::quadratic_dense_real | ( | complex(dp), dimension(:, :, :), intent(in) | operators, |
| complex(dp), dimension(:, :), intent(in) | metric, | ||
| real(dp), dimension(:), intent(in) | shift, | ||
| real(dp), dimension(:), intent(in) | weights, | ||
| integer, intent(in) | nstates, | ||
| logical, intent(in) | iterative, | ||
| integer, intent(in) | max_subspace, | ||
| integer, intent(in) | max_iter, | ||
| real(dp), intent(in) | tolerance, | ||
| real(dp), intent(in) | metric_tolerance, | ||
| type(quadratic_result_type), intent(out) | result, | ||
| integer, intent(out) | status ) |
Dense AO oracle, also providing a dense-metric reference for the iterative solver.
| operators | Hermitian observables in a covariant AO basis |
| metric | Positive AO overlap |
| shift | Query value for each observable |
| weights | Nonnegative observable scales |
| nstates | Number of lowest eigenpairs |
| iterative | Use the matrix-free Ritz iteration rather than full diagonalization |
| max_subspace | Maximum trial-space dimension |
| max_iter | Maximum Ritz iterations |
| tolerance | Relative eigenpair residual threshold |
| metric_tolerance | Minimum overlap eigenvalue ratio |
| RESULT | Eigenpairs, separate observable residuals and expectations |
| status | 0 success, 1 unconverged, -1 input, -2 metric, -4 numerical failure |
Definition at line 142 of file quadratic_pseudospectrum.F.
| subroutine quadratic_pseudospectrum::quadratic_dense::quadratic_dense_complex | ( | complex(dp), dimension(:, :, :), intent(in), target | operators, |
| complex(dp), dimension(:, :), intent(in), target | metric, | ||
| complex(dp), dimension(:), intent(in) | shift, | ||
| real(dp), dimension(:), intent(in) | weights, | ||
| integer, intent(in) | nstates, | ||
| logical, intent(in) | iterative, | ||
| integer, intent(in) | max_subspace, | ||
| integer, intent(in) | max_iter, | ||
| real(dp), intent(in) | tolerance, | ||
| real(dp), intent(in) | metric_tolerance, | ||
| type(quadratic_result_type), intent(out) | result, | ||
| integer, intent(out) | status, | ||
| logical, dimension(:), intent(in), optional | unitary ) |
Dense oracle for general complex queries and possibly non-Hermitian AO operators.
| operators | Covariant AO operators, not necessarily normal or Hermitian |
| metric | Positive AO overlap |
| shift | Complex query value for each operator |
| weights | Nonnegative residual scales |
| nstates | Number of lowest eigenpairs |
| iterative | Whether to use the bounded Ritz iteration |
| max_subspace | Maximum trial-space dimension |
| max_iter | Maximum Ritz iterations |
| tolerance | Relative eigenpair residual threshold |
| metric_tolerance | Minimum overlap eigenvalue ratio |
| RESULT | Eigenpairs, residuals and complex expectations; means holds their real parts |
| status | 0 success, 1 unconverged, -1 input, -2 metric, -4 numerical failure |
| unitary | Optional mask for compressions of continuum unitary operators, whose full normal Gram is S |
Definition at line 180 of file quadratic_pseudospectrum.F.
1.15.0