11/5/95 DEB
Modified basisc.f to report MTS indices when .ind file is read in
11/5/95 DEB
Modified 1D search routine to update spectral shifts whenever a new
minimum
is found. A new variable "fnmin" was added to iterat.inc, which is set
in
srchc.f. For bracketing, fnmin is set to 0 to prevent updating, then
it
is set to the current best value and reset when a new minimum is
found.
11/5/95 DEB
Fixed formatting error in srchc in report made when user terminates
the
1D search after bracketing.
11/6/95 DEB
Updated search routine to allow for function as well as parameter
convergence. New parameter pftol added to parcom.inc and argument
list in call to brent routine. New keyword addded to "search" comman:
FTOL <number> specifies absolute convergence tolerance for function
in the search.
Note: MAXITR keyword in this command is still not functional.
11/6/95 DEB
CTOL keyword added to fit command. This defines the tolerance for
linear dependence amongst spectra in multicomponent fits.
11/25/95 DEB
cmds.f file broken up into individual files: series.f, sitec.f,
varyc.f,
fixc.f, and parc.f. The remaining routine, indtkn, was moved to
strutl.f.
The makefile was modified to reflect this reorganization.
11/25/95 DEB
Several modifications were made to enable the user to specify NFIELD
(the number of field points) and IDERIV (derivative mode). These are
normally obtained directly from the data, but must be supplied by
the user when calculations are performed without data. The above
names were added to nlstxt.f, and the routines setipr and spcprm
in file setprm.f were modified to check for these spectrum-dependent
integer parameters. File series.f was modified to copy all of the
necessary spectrum-dependent parameters from spectrum #1 for
newly defined series spectra having no corresponding datafile.
11/25/95 DEB
A new flag, wdwflg, was added to expdat.inc. It is 0 upon
initialization
of the program (nlsinit in file nlsl.f), and set to 1 when the
graphical windows routine is called.
12/09/95 DEB
The error message that appears in the help text (helpc.f) has been
fixed.
Error text also updated slightly (~/bin/nlshlp.txt).
3/29/96 DEB
Several modifications have been implemented during the period 3/1-3/29
which were debugged by this date. The major new feature involved is
that
NLSL will now perform single spectral calculations when there is no
datafile. This feature is particularly useful for calculating spectra
for a range of parameters for illustrative purposes.