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integer, parameter | multidip_params::ntermsasy = 5 |
| Number of terms in expansion of the Coulomb-Hankel functions. More...
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integer, parameter | multidip_params::ntermsppt = 3 |
| Number of terms in expansion of the exponential integral. More...
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integer, parameter | multidip_params::nmaxphotons = bit_size(0) |
| The limit on number of photons is nested_cgreen_integ More...
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integer, parameter | multidip_params::max_romb_level = 20 |
| Maximal nesting level for Romberg integration. More...
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integer, parameter | multidip_params::max_levin_level = 20 |
| Maximal nesting level for Levin integration. More...
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integer, parameter | multidip_params::cheb_order = 5 |
| Order of Chebyshev interpolation used in Levin quadrature. More...
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integer | multidip_params::maxtarg = 0 |
| Maximal number of target states to calculate dipoles for (0 = all) More...
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logical | multidip_params::cache_integrals = .false. |
| Cache Coulomb-Green integrals in memory (but disables some threading) More...
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logical | multidip_params::check_dipoles = .true. |
| Check that all dipole matrices in molecular_data are nonzero. More...
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logical | multidip_params::closed_interm = .false. |
| Consider weakly closed channel in intermediate states (unfinished!) More...
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logical | multidip_params::coulomb_check = .true. |
| Skip integrals that cannot be asymptotically approximated well. More...
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logical | multidip_params::print_warnings = .true. |
| Print warnings about non-converged integrals. More...
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logical | multidip_params::custom_kmatrices = .false. |
| Ignore RSOLVE K-matrices and calculate them from scratch. More...
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logical | multidip_params::extend_istate = .false. |
| Continue initial state from the known inner region expansion outwards. More...
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integer | multidip_params::num_integ_algo = 2 |
| Numerical integration mode (1 = Romberg, 2 = Levin) More...
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real(wp) | multidip_params::epsrel = 1e-6 |
| Romberg integration relative tolerance for convergence. More...
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real(wp) | multidip_params::coultol = 1e-4 |
| Coulomb matching relative tolerance (decides whether to use asym. forms) More...
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real(wp) | multidip_params::closed_range = 5.0 |
| Energy interval (a.u.) before threshold for inclusion of closed channels. More...
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real(wp), parameter | multidip_params::alpha = 1/137.03599907_wp |
| Fine structure constant. More...
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real(wp), parameter | multidip_params::rzero = 0 |
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real(wp), parameter | multidip_params::rone = 1 |
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real(wp), parameter | multidip_params::rhalf = 0.5 |
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real(wp), parameter | multidip_params::pi = 4*atan(1.0_wp) |
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complex(wp), parameter | multidip_params::czero = 0 |
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complex(wp), parameter | multidip_params::cone = 1 |
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complex(wp), parameter | multidip_params::imu = (0, 1) |
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character(len=1), dimension(3), parameter | multidip_params::compt = ['x', 'y', 'z'] |
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integer, dimension(3), parameter | multidip_params::carti = [3, 1, 2] |
| Position of a Cartesian coordinate in the real spherical basis (y, z, x). More...
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integer, dimension(3), parameter | multidip_params::cartm = [+1, -1, 0] |
| Real spherical harmonic m-value corresponding to given a Cartesian coord. More...
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