evalrcal command



evalrcal | files 
         / outfile()        random()      keepoutsiders
           time(1E-12,1E-6) dbtimesteps() verbose
           ntime(2401)
           outtime()        outloop()
           gvalue
           track
           radial rlog nr() rmax() rmin()
           spherical        intertrack    debug
           nonoyes

Purpose

Chemical species simulation: evaluates radical development over time.

Parameters

files
Input listmode track file to be evaluated. If no file is specified and this command is given before the simulation is run, the listmode data produced by the physics simulation are directly passed to the chemical simulation routine.
outfile(stem)
Stem name of the files to receive the evaluated data, in gd-format. This file is created after all listmode data have been processed.
time(tstart,tend) ntime(nt)
Do not use.
outtime(tlist)
List of time breakpoints (in seconds) at which track and radial snapshots are to be taken.
gvalue
Output G-values for the chemical species as a function of time.
Filename:
<stem>gvalue.gd
tracks
Output track coordinate snap shots for the chemical species at time breakpoints specified by outtime.
Filenames e.g.:
<stem>ns001000.track.gd for the break point 1 ns.
radial
Output snap shots for the radial distance (cylindrically symmetric around z) of chemical species at time breakpoints specified by outtime.
Filenames e.g.:
<stem>ns001000.rdist.gd for the break point 1 ns.
The output is in gd-format, where the first y-column holds the raw number of species. In the second y-column this is normalized to the respective volume element. Both are normalized to the number of initial beam particles by an entry in the H: header.
spherical
For radial: calculate the spherical distance from the origin rather than the cylindrical distance from the z-axis.
nr(nr) rlog rmin(rmn) rmax(rmx)
For radial: define nr radial bins ranging from rmn to rmx, optionally with log spacing.
If not specified, some internal default will be chosen.
random(altrnd)
Selects an alternative random number generator for the chemical simulation. The alternative generator, altrnd, must be initialized using the random command. See remark below.
dbtimesteps(t1,t2,t3,...,tn, dt1,dt2,...,dtn)
Specify the time steps for the chemical simulation according to D.Boscolo's thesis.
Simulation runs from t1 through tn, with linearly spaced time intervals dt1 when in interval [t1,t2), dt2 when in interval [t2,t3) and so forth.
outloop(llist)
List of time loop counters at which track and radial snapshots are to be taken.
intertrack
Enable intertrack reactions.
By default, only reactions within the same primary particle track are considered.
nonoyes
Disable the infamous Noyes sqrt() term when the scavenging probability is calculated.
By default, it is enabled.
keepoutsiders
By default, chemical species are removed when they leave the volume in which they were created.
This option keeps them indefinitely. See remark below.
verbose
Some additional internal information for debugging purposes.
debug
Debug switch. Lots of output!

Remarks

  1. The random() option allows to run two different instances of random number generators independently, i.e. the standard one for the physics and the alternate one for the radiation chemistry simulation. This is particularly useful for development and debugging, since an altered random sequence in one simulation does not affect the other one.
  2. The keepoutsiders option should be used with care. Strictly speeking it is acceptable only in single volume geometries, where artificially small volumes are defined in order to keep the number of initial physics events low.
  3. The verbose option outputs, in this order :
    1. The current loop number,
    2. the current time step (seconds),
    3. the #of radicals in this time step,
    4. n1st
    5. the #of reactions with dissolved oxygen in this time step,
    6. the accumulated #of reactions with dissolved oxygen,
    7. n2nd,
    8. the #of eligible reactions in this time step,
    9. the #of true reactions in this time step,

Examples

See here
Last updated: M.Kraemer,
$Id: traxcmdevalrcal.html,v 1.3 2023/02/18 13:05:09 kraemer Exp $