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!
- 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.
- 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.
- The verbose option outputs, in this order :
- The current loop number,
- the current time step (seconds),
- the #of radicals in this time step,
- n1st
- the #of reactions with dissolved oxygen in this time step,
- the accumulated #of reactions with dissolved oxygen,
- n2nd,
- the #of eligible reactions in this time step,
- 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 $