CMFGEN. Associate every atomic species with a given identification number

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CMFGEN Associate every atomic species with a given identification number For each species, set: atomic mass atomic number solar abundance species abbreviations species identification Read in MODEL_SPEC Define atmosphere grid size, species present, and basic atomic models Allocate data structure for atomic data Call main subroutine CMFGEN_SUB Page 1

CMFGEN_SUB Read model parameters and control variables from IN_ITS and VADAT Read atomic data Define commoving frame and observer frame frequency grids Compute continuum edges Put lines into increasing wavelength Determine principal continuum frequencies Insert lines into frequency grids Determine main continuum frequencies Determine R grid Old Model? Read SCRTEMP Contains R, V, T, σ, and atomic populations Compute Velocity field and define R grid Page 2

Evaluate weights for computing moments of the radiation field Determine Initial Estimates for T, Ne, and atomic populations Old Model? Interpolate populations on R grid? [LIN_INT] = T? (Estimates already obtained from SCRTEMP) Estimate Ne using γ-file Read in departure coefficients from preexisting model Regrid population and T in R R min and R max must be same as input files Compute T using τ es Regrid population on Ne Compute Rosseland mean opacity and compute grey T distribution Set T to T grey above τ = [T_INIT_TAU] If (GREY_SCALE_FAC file present) T=T grey (T/T grey ) file for τ > [GREY_TAU] If τ < [GREY_TAU], use T=T old Recompute new populations assuming departure coefficients are f(t) Does T converge? Page 3

Loop Begins Iterate until fractional correction < [EPS] Compute inner boundary condition dt/dr for diffusion approximation ---Involves computing χ R at inner boundary [DO_LAM_IT] =T or [FLUX_CAL_ONLY] = T? Evaluate continuum opacities at inner boundary Evaluate variation at inner boundary Add in line contributions to opacity Update flux estimate Loop over all frequencies dt/dr = T/ R Compute dt/dr and its variation Update statistical equilibrium equations for all collisional terms and set abundance constraints If compute linearized rate equations, update BA (linearization matrix) Update statistical equilibrium equations for states which can partially autoionize If compute linearized rate equations, update BA If [DIE_AS_LINE] = T, handle Low Temperature Dielectronic Recombination (LTDR) lines separately and in non-blanketed mode Update SE equation and BA for LTDR contributions Page 4

Compute radiation field at all frequencies, and evaluate ration equation, and linearized rate equations [BA matrix] Determine if continuum opacity is to be computed Compute quadrature weights for SE term dependant on J ν Add/drop lines treated in blanketing mode to list for current frequency Loop Continues If required, evaluate continuum opacity & emissivities Loop over all continuum frequencies Include line opacities and emissivities Insure no -ve opacities Compute J ν Update rate equations for continuum terms dependent on J ν Update and z (=1- /S) for each line used at current frequency Update rate equations for those lines that have been finished (ie at the last frequency in Doppler profile) Page 5

Compute BA? Loop Continues Λ Iteration? Compute δj ν /δχ ν and δj/δη ν Compute δχ/δn i and δη/δn i Update BA for continuum terms independent of δj ν Compute δj/δn i Update BA for continuum terms that are independent of δj ν Loop over all continuum frequencies Update BA for continuum terms that are dependent on δj ν Include line terms assuming δ = 0 Weak line? Update BA assuming δ =0 for competed lines Update δ and δz Update BA for completed lines Page 6

Add in two photon processes to rate equation Add in charge exchange process to rate equations Compute observed flux at current frequency Loop over all continuum frequencies Update mean opacities and luminosity checks Allow for two photon processes on BA matrix Allow for charge exchange processes on BA matrix Loop Continues Include advection terms if [INC _ADV] = T Include adiabatic cooling terms if [INC _AD]=T End continuum loop Output: observed fluxes (OBSFLUX) mean opacities (MEAPAC) hydro dynamical terms (HYDRO) Do lines that are to be treated individually in comoving-frame or via Sobolev approximation Direct influence on observed spectrum is not taken into account Page 7

Output: Luminosity as a function of depth Line and mechanical contribution to the luminosity Solve the set of linearized equations BA The rate equations are adjusted to hold the requested variables (eg T) fixed Update super level populations to new estimates Loop Continues Decide parameter settings for next iteration: Should we do a Λ iteration? Should we hold T fixed at some depths? Will next iteration be the last iteration? Are changes small enough to stop model after next iteration? Will we hold BA fixed for the next iteration? Save new population estimates to SCRTEMP Perform an NG acceleration if appropriate Update population of all levels, converting from super levels as necessary Page 8

LST iteration? Return to beginning of the main iteration loop Output: MOD_SUM and RVTJ; POPDUM file (all species; GAMMA; XzVOUT (all ionization stages); and XzVPRPR Close OUTGEN to force buffer output STOP Read in IN_ITS to see if number of requested iterations has changed Loop Ends Page 9