22 March 1999: New c-coded files are now available
24 March 1999: Fixed sin scaling in spinv.c
25 March 1999: Fixed underflow problem in ordblk (ulib.c), fixed
potential problem with reading option lines in calfit,
fixed DIAG=2 bug in spinv.
22 April 1999: Fixed bug in Itot option in spinv.c when more than 2 spins.
25 May 1999: Fixed bug in calfit involving blends when there are bad quanta
in .lin files; fixed bug in spinv that appears when largest
number of spins is not the default; added feature to calculate
partition funtion in calcat for temperature specified in line
2 of .int file.
23 July 1999: Fixed bug in spinv.c that caused IQNFMT to have wrong 10's digit
when F was half integer
7 Sept. 1999: Fixed bug in spinv.c that caused crash for large spin sets
13 Sept. 2000: Many small revisions including:
(1) negate Hamiltonian for kappa > 0 on first pass to improve
logic for oblate case, (2) make separate ORDHAM and FIXHAM,
(3) subtract constant from energy for more precision,
(4) special code for unit matrix, (5) fix up phase for
cross-multiplet interaction, (6) efficiency improvement for
3J, 6J, and 9J routines, (7) eliminate use of .unf file,
(8) size check on correlation matrix elements in
.par and .var files.
9 Oct. 2000: Changed definiton of dipole type = 10 (see spinv.html)
13 June 2001: Include sort of .cat file at the end of spcat and dpcat
7 July 2001: Fix bug for multiple l doubled states
26 Sept. 2001: Fix bug for oblate interactions of type 6x and 2x
Split readqn and pcard from ulib and improve code.
10 Dec. 2003: Augmentation for n-fold symmetric tops with n = 2,3,4,5,6
Improved portability with changes proposed by splint.
10 Mar. 2004: New code for resolved hyperfien for n-fold symmetric tops
using Itot basis for a single set of n-equivalent spins.
24 May 2004: Fix bugs for v > 99, use BCD internally for parameter and dipole
identifiers
20 July 2004: internal BCD modification had bugs for SPFIT for dipoles with
SI1 or TYP fields in IDIP not zero.
21 July 2004: fixed bug in SPFIT/SPCAT that affected default VSYM
24 Aug. 2004: format of frequency field in .cat field is now expandable in
spcat, dpcat, and calmrg to accomodate IR frequencies in MHz
30 Dec. 2004: expanded Euler operators
29 May 2005: fixed bug in operators connecting l=0 to l-doubled states.
fixed minor memory leak for DIAG=1 cases.
31 May 2005: fixed bug so idpar field in par file can be followed by decimal
point to retain compatibility with older files
8 July 2005: dpfit had bug when speciying parameter 27, code and doc fixed
9 July 2005: changed centrifugal distortion parameters for hyperfine and
quadrupole. Earlier versions had bug that suppressed applying
centrifugal distortion to Delta J ne 0 matrix elements.
28 Sept. 2005: fixed a bug in SPFIT/SPCAT for Itot basis for matrix elements
with Delta Itot odd.
The signs for some off-diagonal elements have the wrong sign.
27 Oct. 2005: fixed minor bugs in magnetic dipole intensities. fixed bug in dipole
TYP = 8 and 12 that produced dipole with wrong symmetry except for
l-doubled states.
23 Dec. 2005: fixed bugs in Itot basis for l-doubled states. several poorly
debugged versions were put on the web prematurely in November and
December.
3 Jan. 2006: new expanded options for fitting blended lines that allows fitting
the rms frequency separation as well as the average frequency. See
spinv.pdf documentation.
16 Jan. 2006: fixed bug in intensity calculation that resulted in improper check
of statistical weights. fixed bug in quantum format field
26 Jan. 2006: fixed sign error for dipoles
11 Feb. 2006: Fixed bug that made some derivatives a factor of 2 too large. Impact
on fitting and estimated uncertainties.
9 May 2006: Extended definition of EWT1 for l-doubling situations
11 May 2006: Fixed bug concerning nvib > 99 and in special cases nvib > 9.
26 May 2006: Fixed least square fit for rank-decicient problem, i.e. specify
the same parameter twice. Fixed case of I = 0, Itot = 0.
22 June 2006: Fixed bugs in calmrg that produced incorrect .bad file
15 July 2006: Fixed bug in diagonalizer when of row of off-diagonal elements was zero
18 July 2006: Fixed bug in spfit that first parameter had wrong step for fit
17 Aug. 2006: Improve checking of spin weights in spinv
16 Oct. 2006: Increase options for phases between Wang states. New option for
specifing Lz operator explicitly.
22 Mar. 2007: Improvements for handling internal rotation. Update documentation.
1 June 2007: Gup MSB can be a character in cat and mrg files (gup is < 3600)
4 June 2007: Fix bug in calmrg when merging two unequal lines
9 June 2007: Fix bug in SPCAT with IDIAG = 0, no egenvector transformation of S
11 July 2007: Fix bug that rejected Euler denominator parameters
12 July 2007: Fix bug that rejected parameters for Itot basis 3-fold sym rotors
19 July 2007: Enhancement of DPFIT and SPFIT .par file in line 2 FACT field, a negative value
makes parameter errors follow convention.
24 July 2007: Improved diagnostic messages when parameter or dipole is rejected
6 Nov. 2007: Fixed bug that did not include Itot = 0 lines in .cat files and .str files
6 NOv. 2007: Fixed bug in ORDBLK(in ulib.c) that caused bad quanta for coupled N = 0 states