Auxiliary files
Additional ASCII text files associated with DEQSOL
Advanced users will need to appreciate the text files that can be used
to monitor the course of integration or curve fitting, or to supply
data to control simulation and fitting as follows.
w_deqsol.txt
This can be consulted after using DEQSOL to see
technical details concerning the integration and optimisation.
It will be found in the ...\simfit\res\ folder.
iterate.txt
This can be consulted after using DEQSOL to see
iteration details concerning the integration and optimisation.
It will be found in the ...\simfit\res\ folder.
nagifail.txt
This can be consulted after using the NAG library E04 or D02
routines with DEQSOL to see
how to interpret IFAIL values concerning the integration and optimisation.
It will be found in the ...\simfit\bin\ folder.
model files
Run usermod to find out how to supply your own
equations.
The examples usermodd.tf1 and deqmod?.tf? should be studied.
configure/initialise files
Most of the details required to configure DEQSOL can be added to
model files using the following flags:
begin{limits} ... end{limits}
begin{range} ... end{range}
as will be clear from inspecting the demonstration files deqmod?.tf?.
In addition, configuration can be altered interactively, but it
is also possible to input special configuration files.
These set the method, number of
parameters and equations, range, number of time points, start values,
limits, etc. The examples deqpar?.tf? should be studied.
parameter/limits files
The usual way to set parameter starting estimates and limits for
curve fitting is to use the flag
begin{limits} ... end{limits}
on one of the data files supplied for fitting.
In addition, it is possible to use parameter limits files
which just contain a list of parameter
start estimates and limits.
Deqsol will initialise n parameters
if there are n parameter limits in the file supplied, but you
will be warned if the model requires fewer than n.
(Important note: here n also includes the y0(i)).
So if j = number of parameters and k = number of y0 (i.e. equations) You
would read in n = j + k values to set all parameters, including initial
conditions y0(i).
library files
These are the best way to use DEQSOL for curve fitting more than one equation.
Simply use program maklib to make a
library file of the data files, but use a percentage sign retrospectively
to indicate that data are not available for that component.
You should use the flag
begin{limits} ... end{limits}
on one of the data files.
Note that starting estimates can always be
changed interactively, or by reading initialisation or parameter limits files.
Scripts
Some special releases of DEQSOL can be controlled by sripts
to make repetitive simulation and/or fitting easier
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