title TH85 PDR with Orion grains
//>>refer Tielens, A.G.G.M., & Hollenbach, D., 1985, ApJ, 291, 747-754
c
c commands controlling continuum =========
c cosmic background
background
c galactic cosmic ray background 
cosmic rays, background
c first continuum is FIR hot grain continuum produced in 
c unmodeled HII Region
blackbody, t = 75 K
intensity 2.7 (total)
c this is the attenuated hot stellar continuum
black 30000
intensity  2.204 range  0.4412 to 1 Ryd
c this will remove all ionizing radiation
extinguish 24 0
c
c commands for density & abundances =========
hden 5.362
init file="ism.ini"
grains orion, abundance log 0.16 no qheat 
abundances he -1.01 c -3.52 n-8 o-3.30 ne-8 mg-5.89
continue si -6.10 s -5.10 cl-7 ar-8 fe -6.60
c
c commands controlling geometry  =========
c simulate effects of gas we do not model 
double
sphere
c stopping criteria
c this should be the one actually used
c >>chn 04 mar 13, from 10 to 36.3, bug in AV had stopped at this depth,
c so change it to this to keep model the same
stop AV 36.3 extended 
c stop when gas is fully neutral
stop efrac -10
c stop when gas is cold
stop temperature 10 linear
c stop at thickness so that would make results very
c detail dependent
// >>chng 03 mar 08, from 16.5 to 16.3, so both th85orion, th85ism,
// stop for thickness, not C fully molecular
// >>chng 03 aug 28, stop at a few parsecs
stop thickness 19
c
c other commands for details     =========
turbulence 2.7 km/sec
iterate
failures 3 
c 
c this is done to not allow pumping and subsequent photoionization
c of H by Balmer continuum in keeping with std pdr assumptions 
case b
c
c commands controlling output    =========
normalize to "C  2" 157.6m 
c uv lines are strongly pumped by stellar continuum, break out contribution
print line pump
print line optical depths
print ages
c
save performance "pdr_th85orion.per"
save overview "pdr_th85orion.ovr" no hash 
save pdr last "pdr_th85orion.pdr"
c this only outputs major molecules 
save molecules last "pdr_th85orion.mol"
save dr "pdr_th85orion.dr"
c this is to get all of H molecules 
save hydrogen physical conditions last "pdr_th85orion.hyd" 
save results last "pdr_th85orion.rlt"
save monitors last "pdr_th85orion.asr"
save continuum units microns last "pdr_th85orion.con"
save ionizing continuum last "pdr_th85orion.ion"
save heating last "pdr_th85orion.het"
save cooling last "pdr_th85orion.col"
save hydrogen 21 cm last "pdr_th85orion.21cm"
c these are for the grains
save grain extinction last  "pdr_th85orion.grnext"
save grain potential last   "pdr_th85orion.grnpot"
save grain temperature last "pdr_th85orion.grntem"
save grain charge last "pdr_th85orion.grnchr"
c
c commands giving the monitors    =========
// >>chng 01 apr 11, changed all lines to luminosity, lots changed
// with revised grain physics
// >>chng 01 mar 07, from -1.707 to -1.664, change in grain physics
// >>chng 01 apr 11, from -1.664 to -1.715, change in grain physics
// >>chng 02 jan 07, broke out H2 grain formation onto each species
//   and revised D_H to agree with fa in Hollenbach & McKee 79
//   more H2, gas tends to be warmer
// >>chng 02 jan 07 from -1.715 to -1.785
// >>chng 03 aug 28, from -1.785 to -1.776, Nick Abel fix of CO, incr depth
// >>chng 04 jan 24, from -1.776 to -1.753, rescale orion dust to gas
// >>chng 04 feb 21, from -1.753 to -1.798, chem update
// >>chng 04 jul 07, from -1.798 to -1.767, oh ct integ
// >>chng 05 jul 05, from -1.767 to -1.78, tune up
monitor line luminosity "c  2" 157.6m -1.78 err 0.1 
//
// >>chng 02 jan 07 from -1.841 to -0.849
// >>chng 02 dec 31, from -0.849 to -0.924, do not iterate
// >>chng 03 mar 08, from -0.924 to -1.943, bugs in solomon, grn surf recom
// >>chng 03 may 23, from -1.943 to -2.033, corr bug intro above
// >>chng 03 jun 02, from -2.033 to -2.01, larger def H atom
// >>chng 03 jun 08, from -2.01 to -2.03, ? ?, increase error to 0.1
// >>chng 03 jun 10, from -2.03 to -2.347, chng solomon process
// >>chng 03 aug 03, from -2.347 to -2.303, chng 2s-2p rates
// >>chng 03 aug 28, from -2.303 to -1.823, Nick Abel fix of CO, incr depth
// >>chng 03 sep 13, from -1.823 to -1.923, chng H2* rates
// >>chng 03 sep 23, from -1.923 to -1.973, better convergence, incr error
// >>chng 03 nov 16, from -1.973 to -2.638, solomon th85 -> db96
// >>chng 04 feb 09, from -2.638 to -2.92, more th85 -> db96
// >>chng 04 feb 21, from -2.92 to -3.29 chem update, incr error
// >>chng 04 mar 24, from -3.29 to -3.02, small changes
// >>chng 04 may 13, from -3.02 to -2.92, dest albedo chng
// >>chng 04 jul 02, from -2.92 to -2.80, O H ct
// >>chng 05 jul 05, from -2.80 to -2.88, add Cl to elem, HCl was important
// >>chng 05 jul 05, from -2.88 to -2.96, cdsqte err
// >>chng 05 dec 08, from -2.96 to -3.18, update to Elwert Solomon rate
// >>chng 11 nov 16, from -3.18 to -3.41, adjust newmole monitors
monitor line luminosity "H2 l" 2.000m -3.41 error 0.2
//
// >>chng 02 jan 07 from -0.632 to -0.499
// >>chng 02 dec 31, from -0.499 to -0.449, do not iterate
// >>chng 03 mar 08, from -0.449 to -0.664, bugs in solomon, grn surf recom
// >>chng 03 jun 10, from -0.664 to -0.630 chng solomon process
// >>chng 04 feb 21, from -0.630 to -0.662 chem update, incr error
// >>chng 04 may 13, from -0.662 to -0.641, dest albedo chng inr crr
// >>chng 04 sep 10, from -0.641 to -0.596, rewrite ion solver, auger, grn rec
monitor line luminosity "o  1" 63.17m -0.596 error 0.1
//
// >>chng 02 jan 07 from -1.771 to -1.555
// >>chng 03 mar 08, from -1.555 to -1.811, bugs in solomon, grn surf recom
// >>chng 03 may 23, from -1.811 to -1.856, corr bug intro above
// >>chng 03 jun 10, from -1.856 to -1.907 chng solomon process
// >>chng 03 aug 28, from -1.907 to -1.848, Nick Abel fix of CO, incr depth
// >>chng 03 set 23, from -1.848 to -1.787, better convergence
// >>chng 04 jul 07, from -1.787 to -1.745, oh ct integ
// >>chng 05 jul 05, from -1.75  to -1.79, cdsqte err
monitor line luminosity "o  1" 145.5m -1.79 error 0.1
//
// >>chng 02 jan 07 from -0.517 to -0.275
// >>chng 03 mar 08, from -0.275 to -0.563, bugs in solomon, grn surf recom
// >>chng 03 aug 28, from -0.563 to -0.447, Nick Abel fix of CO, incr depth
// >>chng 03 set 23, from -0.447 to -0.508, better convergence
// >>chng 04 feb 21, from -0.508 to -0.541 chem update, incr error
// >>chng 04 jul 07, from -0.541 to -0.515, oh ct integ
// >>chng 04 dec 08, from -0.515 to -0.540, co-ion feedback, check converg
// >>chng 05 jul 05, from -0.540 to -0.531 cdsqte err
monitor line luminosity "toth" 0 -0.531 tune up 
//
// >>chng 04 jun 12, add this line
// >>chng 04 jul 07, from -2.006 to -1.982, oh ct integ
// >>chng 04 dec 08, from -1.982 to -2.011, co-ion feedback, check converg
// >>chng 05 jul 05, from -2.011 to -1.993 tune up
// >>chng 07 dec 15, from -1.993 to -1.974, X-ray grain merge
monitor line luminosity "Si 2" 34.81m  -1.974
//
// >>chng 03 mar 08, from 2.397 to 2.366, bugs in solomon, grn surf recom
// >>chng 03 aug 28, from 2.366 to 3.526, Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 3.526 to 2.619, change stop to Av
// >>chng 04 jun 30, from 2.619 to 2.643, slow rift up
// >>chng 04 jul 07, from 2.643 to 2.674, oh ct integ
// >>chng 04 dec 08, from 2.674 to 2.634, co-ion feedback, check converg
monitor line luminosity "grat" 0 2.634
c
// >>chng 02 jan 07 from -0.004 to -0.066
// >>chng 03 mar 08, from -0.341 to -0.000 bugs in solomon, grn surf recom
// >>chng 03 aug 28, from 0.000 to -2.364 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from -2.364 to -0.735 change stop to Av
// >>chng 03 nov 18, from -0.735 to -0.688, update co network
// >>chng 04 jan 27, from -0.688 to -0.643, update cosmic ray background
// >>chng 04 feb 13, from -0.643 to -0.619, add H2 + He+ ->
// >>chng 04 feb 14, from -0.619 to -0.589, update H2+ + CO rate
// >>chng 04 feb 21, from -0.589 to -0.394 chem update, incr error
// >>chng 04 apr 19, from -0.394 to -0.475, Nick Abel update CO aft Leiden
// >>chng 04 jun 30, from -0.475 to -0.526 slow rift up
// >>chng 04 jul 17, from -0.526 to -0.461, NA update chem net
monitor ionization silicon 2 -0.461 error 0.1 
// 
// >>chng 04 feb 14, add this, important for H2 and CO dest
// >>chng 04 mar 24, from -8.244 to -8.800 small changes, incr err
// >>chng 04 apr 02, from -8.800 to -8.869, update co photo diss rate
// >>chng 04 apr 17, from -8.869 to -8.254, grn surf recom, better h mole conv
// >>chng 04 may 13, from -8.254 to -8.211, dest albedo chng inr crr
// >>chng 04 may 09, from -8.211 to -8.118, NA update H chem net
// >>chng 04 jul 03, from -8.118 to -8.342, NA update H, CO chem net
// >>chng 05 aug 03, from -8.34 to -8.27, NA update CO, H chem net
// >>chng 05 oct 01, from -8.27 to -8.32, RP update He levejs
// >>chng 07 dec 03, from -8.32 to -8.26, RP changes iso sequences
// >>chng 11 nov 16, from -8.26 to -8.352, adjust newmole monitors
// >>chng 12 apr 09, from -8.352 to -7.46, update CR backbround to Indriolo+07, ~8x larger
monitor ionization helium 2 -7.46 error 0.15
//
// >>chng 02 jan 07 from -0.092 to -0.341
// >>chng 03 mar 08, from -0.341 to -0.017 bugs in solomon, grn surf recom
// >>chng 03 aug 28, from -0.017 to -2.567 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from -2.567 to -0.936 change stop to Av
// >>chng 04 feb 21, from -0.936 to -0.512 chem update, incr error
// >>chng 04 mar 24, from -0.512 to -0.610 small changes, incr err
// >>chng 04 apr 17, from -0.610 to -0.673, grn surf recom, better h mole conv
// >>chng 04 jul 17, from -0.673 to -0.620, NA update chem net
// >>chng 04 jul 17, from -0.620 to -0.667, chng conv chem net, inc err
// >>chng 06 mar 02, from -0.67 to -0.49, NA Fe0, Mg0, <-> Si+, S+, C+ ct,
// also energy barrier for H + (CH and CH2) reactions
// >>chng 12 apr 09, from -0.49 to -0.4063, update CR backbround to Indriolo+07, ~8x larger
monitor ionization magnesium 2 -0.4063 error 0.15
//
// >>chng 02 jan 07 from 214 to 455
// >>chng 02 dec 31, from 455 to 427, do not iterate
// >>chng 03 mar 08, from 427 to 237 bugs in solomon, grn surf recom
// >>chng 03 aug 28, from 237 to 254 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 254 to 241 change stop to Av
// >>chng 04 feb 21, from 241 to 166 chem update, incr error
// >>chng 04 jun 12, from 166 to 178 chng cont shield fcn
// >>chng 05 jul 05, from 178 to 178 tune up
// >>chng 06 nov 29, from 178 to 187 Badnell DR turned on
monitor temperature carbon 2 187
//
// >>chng 03 may 23, from 21.30 to 21.213, corr bug in solomon process
// >>chng 03 jun 10, from 21.213 to 21.005 chng solomon process
// >>chng 03 aug 28, from 21.005 to 24.061 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 24.061 to 22.406 change stop to Av
// >>chng 04 jan 23, from 22.406 to 22.464, rescale orion dust to gas
monitor h2 column density 22.464 error 0.1
//
// >>chng 03 jun 10, from 13.09 to 12.865 chng solomon process
// >>chng 03 aug 28, from 12.865 to 20.471 Nick Abel fix of CO, incr depth
// >>chng 03 sep 10, from 20.471 to 20.365, better H2* resolution
// >>chng 03 sep 11, from 20.365 to 20.512, better H2* resolution
// >>chng 03 sep 16, from 20.512 to 20.839, Nick Abel fix conserv, add mol ion
// >>chng 03 sep 29, from 20.839 to 19.104 change stop to Av
// >>chng 03 oct 25. from 19.104 to 19.057, update H chem net
// >>chng 04 jan 23, from 19.057 to 19.115, rescale orion dust to gas
// >>chng 04 apr 02, from 19.115 to 19.207, update co photo diss rate
// >>chng 04 jul 03, from 19.207 to 19.146, NA update H, CO chem net
monitor CO column density 19.146 error 0.1
// 
// >>chng 05 sep 30, add these 5
// >>chng 12 apr 09, from 9.96 to 10.85, update CR backbround to Indriolo+07, ~8x larger
monitor column density H2+  10.85 error 0.1
// >>chng 12 apr 09, from 12.84 to 13.71, update CR backbround to Indriolo+07, ~8x larger
monitor column density H3+  13.71 error 0.1
monitor column density H2g  22.45 error 0.1
// 
// >>chng 05 dec 08, from 17.10 to 16.40, update to Elwert Solomon rate
// >>chng 11 nov 16, from 16.4 to 16.32, adjust newmole monitors
monitor column density H2*  16.32 error 0.1
// 
// >>chng 05 dec 08, from 8.27 to 8.33, update to Elwert Solomon rate
// >>chng 06 mar 02, from 8.33 to 8.37, NA Fe0, Mg0, <-> Si+, S+, C+ ct,
// also energy barrier for H + (CH and CH2) reactions
// >>chng 11 nov 16, from 8.37 to 8.241, adjust newmole monitors
// >>chng 12 apr 09, from 8.241 to 9.138, update CR backbround to Indriolo+07, ~8x larger
monitor column density HeH+ 9.138 error 0.1
// 
//
// >>chng 03 mar 08, all following about 15% warmer, bugs solomon grn surf rec
// >>chng 03 aug 28, from 106 to 43.85 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 43.85 to 55.83 change stop to Av
monitor grain 01 temperatuer 55.83
//
// >>chng 03 aug 28, from 98.4 to 43.8 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 43.8 to 55.04 change stop to Av
monitor grain 03 temperature 55.04 
//
// >>chng 03 aug 28, from  74.5 to 43.6 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 43.6 to 52.47 change stop to Av
monitor grain 09 temperature 52.47
//
// >>chng 03 aug 28, from  83.6 to 43.9 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 43.9 to 56.16 change stop to Av
monitor grain 11 temperature 56.16 
//
// >>chng 03 aug 28, from  68.3 to 43.8 Nick Abel fix of CO, incr depth
// >>chng 03 sep 29, from 43.8 to 54.75 change stop to Av
monitor grain 19 temperature 54.75 
//
// >>chng 02 jan 07 from 220 to 280
// >>chng 02 jun 13, from 280 to 320, finer i front
// >>chng 02 jul 25, from 320 to 330, better convergence 
// >>chng 03 jun 08, from 330 to 200, ? finer stability?
// >>chng 03 aug 28, from  200 to 600 Nick Abel fix of CO, incr depth
// >>chng 04 jun 03, from  600 to 660 finer check on change in mole with r 
// >>chng 04 jul 17, from 660 to 850 NA update chem net
// >>chng 05 jul 05, from 850 to 900 cdsqte err
// >>chng 08 dec 08, from 900 to 815, upper limit -> equals (r2515)
// >>chng 08 dec 13, from 815 to 830, merging newsolvers branch
// >>chng 09 jan 16, from 830 to 832, average of 10 runs
// >>chng 09 ocrt 24 from 832 to 826, drift down, rm small error
// >>chng 12 oct 22, from 826 to 787, zone tau in rt_line_one
monitor nzone 787 
//
// >>chng 03 aug 28, from  5.5 to 5 Nick Abel fix of CO, incr depth
// >>chng 08 dec 08, from 5 to 3.793, upper limit -> equals (r2515)
// >>chng 08 dec 13, from 3.793 to 10.68, merging newsolvers branch
// >>chng 09 jan 16, from 10.68 to 10.72 (error 0.04), average of 10 runs
// >>chng 09 oct 12, from 10.72 to 11.13, extend fine continuum to lower limit of code by default
// >>chng 12 apr 02, from 11.13 to 8.473, Chianti 7 change, gcc 4.4.6 wolkje
monitor itrzn 8.473
//
c pdr_th85orion.in
c class pdr  
c ========================================

This is the Tielens and Hollenbach (1985a, b) standard model of
the Orion photodissociation region (PDR).  Specifically,
this is my attempt at their Table 2 of paper 2, ApJ 291,  p749.
The case b command appears because the Lyman lines are
vastly optically thick in this environment. 
If the command is removed the Lyman lines will be optically thin,
which will result in fast fluorescent excitation of the
(nearly totally neutral) hydrogen atom.

// >>refer	model	pdr	Tielens, A. G. G. M., & Hollenbach, D. 1985a, ApJ, 291, 722
// >>refer	model	pdr	Tielens, A. G. G. M., & Hollenbach, D. 1985b, ApJ, 291, 746