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| subroutine | multidip_routines::multidip_main |
| | MULTIDIP main subroutine. More...
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| subroutine | multidip_routines::multidip_driver (order, moldat, km, ak, lubnd, omega, polar, verbose, first_IP, r0, raw, erange) |
| | Central computation routine. More...
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| subroutine | multidip_routines::setup_initial_state (states, moldat, irr, lubnd, Ei) |
| | Construct initial state. More...
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| subroutine | multidip_routines::solve_intermediate_state (moldat, order, Ephoton, icomp, s, mgvnn, mgvn1, mgvn2, km, state, verbose, calc_Ei, first_IP, r0, erange) |
| | Calculate intermediate photoionisation state. More...
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| subroutine | multidip_routines::extract_dipole_elements (moldat, order, Ephoton, icomp, s, mgvnn, mgvn1, mgvn2, km, ak, state, verbose, calc_Ei, first_IP, r0, erange) |
| | Calculate dipole elements from intermediate and final states. More...
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| subroutine | multidip_routines::print_transition_header (state) |
| | Prints a one-line summary of the transition. More...
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| subroutine | multidip_routines::apply_ak_coefficiens_compak (psi, Apsi, ReAk, ImAk) |
| | Multiply vector by the (complex-conjugated) wave function coefficients. More...
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| subroutine | multidip_routines::apply_ak_coefficients_multidip (psi, Apsi, moldat, nopen, irr, Etot, Sp, Cp, kmat, tmat, conj) |
| | Multiply vector by the (complex-conjugated) wave function coefficients. More...
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| subroutine | multidip_routines::test_final_expansion (filename, moldat, irr, nopen, Etot, Ek, Sp, Cp, kmat, tmat) |
| | Write radially sampled final wave-function to file. More...
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| subroutine | multidip_routines::reset_timer (t, dt) |
| | Get current time stamp. More...
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| subroutine | multidip_routines::calculate_photon_energies (first_IP, escat, etarg, Ei, Ephoton, omega) |
| | Adjust ionization potential and calculate energy of each photon. More...
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| subroutine | multidip_routines::multiint (moldat, r0, Ei, esc, omega, ie, state, sb, dip) |
| | Evaluate the correction dipole integral for all orders. More...
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| recursive complex(wp) function | multidip_routines::multiint_chain (moldat, r0, Ei, esc, omega, ie, c, N, state, ichanf, sb, k, l, m) |
| | Calculate dipole correction integrals at given absorption depth. More...
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| real(wp) function | multidip_routines::channel_coupling_ion (moldat, dcomp, irrf, irri, ichanf, ichani) |
| | Ion channel dipole coupling. More...
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| real(wp) function | multidip_routines::channel_coupling_pws (moldat, dcomp, irrf, irri, ichanf, ichani) |
| | Partial wave channel dipole coupling. More...
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| subroutine | multidip_routines::calculate_pw_transition_elements (moldat, order, state, escat, calc_Ei, first_IP, Ephoton, polar, erange) |
| | Calculate partial wave dipoles, oriented dipoles and cross sections. More...
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| subroutine | multidip_routines::calculate_asymmetry_parameters (moldat, order, state, escat, calc_Ei, first_IP, Ephoton, raw, erange) |
| | Calculate cross sections and asymmetry parameters. More...
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| subroutine | multidip_routines::convert_xyz_to_sph (M_xyz, M_sph, maxl, chains) |
| | Change coordiantes. More...
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| subroutine | multidip_routines::calculate_quadratic_dipole_sph (beta, L, maxl, chains1, chains2, ntarg, nesc, M1, M2) |
| | Evaluate asymmetry parameter for given total L in the spherical basis. More...
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| subroutine | multidip_routines::calculate_quadratic_dipole_xyz (beta, L, maxl, chains1, chains2, ntarg, nesc, M1, M2) |
| | Evaluate asymmetry parameter for given total L in the Cartesian basis. More...
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1.9.1