tolerances.hpp File Reference

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Namespaces
namespace	q3
namespace	q3::math
namespace	q3::math::tolerances

Variables
constexpr double	q3::math::tolerances::bessel_argument_zero_threshold = 1e-8
constexpr double	q3::math::tolerances::cell_volume_threshold = 1e-10
constexpr double	q3::math::tolerances::d_matrix_element_threshold = 1e-15
constexpr int	q3::math::tolerances::default_number_of_q_points_for_atomic_wavefunctions = 2000
constexpr double	q3::math::tolerances::default_q_grid_spacing = 0.01
constexpr double	q3::math::tolerances::default_symmetry_precision = 1e-5
constexpr double	q3::math::tolerances::empty_band_tolerance_floor = 1e-5
constexpr double	q3::math::tolerances::empty_band_tolerance_relaxation_factor = 5.0
constexpr double	q3::math::tolerances::energy_consistency_threshold = 1e-8
constexpr double	q3::math::tolerances::energy_cutoff_rounding_tolerance = 1e-8
constexpr double	q3::math::tolerances::ewald_convergence_threshold = 1e-7
constexpr double	q3::math::tolerances::fermi_electron_count_plateau = 1e-6
constexpr double	q3::math::tolerances::fermi_energy_bisection_convergence = 1e-12
constexpr double	q3::math::tolerances::fractional_translation_rounding_tolerance = 1e-3
constexpr double	q3::math::tolerances::gaunt_coefficient_threshold = 1e-6
constexpr double	q3::math::tolerances::initial_eigenvalue_tolerance = 1e-2
constexpr double	q3::math::tolerances::iterative_solver_norm_threshold = 1e-14
constexpr double	q3::math::tolerances::kpoint_gamma_threshold = 1e-10
constexpr double	q3::math::tolerances::kpoint_grid_offset_tolerance = 1e-6
constexpr double	q3::math::tolerances::kpoint_weight_sum = 1e-6
constexpr double	q3::math::tolerances::lattice_shell_relative_width = 1e-6
constexpr double	q3::math::tolerances::lowdin_minimum_overlap_eigenvalue = 1e-10
constexpr double	q3::math::tolerances::minimum_eigenvalue_tolerance = 1e-13
constexpr double	q3::math::tolerances::minimum_electron_density = 1e-12
constexpr double	q3::math::tolerances::minimum_finite_difference_step = 1e-10
constexpr double	q3::math::tolerances::numerical_zero_threshold = 1e-12
constexpr double	q3::math::tolerances::occupation_threshold = 1e-10
constexpr double	q3::math::tolerances::preconditioner_denominator_floor = 1e-4
constexpr double	q3::math::tolerances::radial_integration_truncation_radius = 10.0
constexpr double	q3::math::tolerances::reciprocal_space_finite_difference_step = 1e-5
constexpr double	q3::math::tolerances::relative_change_scale_floor = 1e-30
constexpr double	q3::math::tolerances::smearing_width_threshold = 1e-10
constexpr double	q3::math::tolerances::stress_finite_difference_scale = 1e-6
constexpr bool	q3::math::tolerances::use_radial_integration_truncation = true
constexpr double	q3::math::tolerances::wannier_diagonal_overlap_threshold = 1e-10
constexpr double	q3::math::tolerances::wannier_negative_spread_tolerance = 1e-8
constexpr double	q3::math::tolerances::wannier_projection_singular_value_threshold = 1e-8
constexpr double	q3::math::tolerances::zero_vector_magnitude_threshold = 1e-10