Most recent major modifications or corrections to programs in PROSPE

       This table only lists reasonably significant modifications - smaller incremental changes are made all the time. To establish whether you are using the current version of a program check the version date at the top of the program listing or as displayed on running the program.
MAR2017 FFTS New program for FFT processing of supersonic expansion free induction decay data (chirped pulse and Balle Flygare type)
DEC2016
Looks like PROSPE had a quiet 15th anniversary, at least when counted from its official creation date.  There has been further steady development over the last few years as highlighted for some of these more popular programs:
  • AABS -  for a quick check on new features you can inspect the key-maps sview_l_keys and ascp_l_keys but complete documentation is only available in the AABS_HELP.CHM file. Some specific modifications are:
  • SVIEW_L - more spectral modification and display options and the 0 key operation for inserting predicted lines into the fitting data file.  More detailed listing in the 'modification history' section of this file
  • ASCP_L - many improvements to the automatic difference frequency plots in the Loomis-Wood screen, further details in the 'modification history' section of this file.
  • PMIFST - direct input from CFOUR/Firefly/Gaussian computing packages, hydrogen bond detection options, generation of connectivity input for use in STRFIT
  • STRFIT - improved input error diagnostics, better documentation, new capabilities for high symmetry, easy exclusions of constants from fit
  • CORSCL - improved automatic generation of predictions for popular single and double isotopic substitutions
  • PIFORM - comprehensive statistics for subsets of the overall data set.  Various other post-processing programs in the PICKETT section have also been updated, as well as the crib_sheet and the annotated official documentation.
OCT2016 DJ New program for applying the venerable pseudo-diatomic approximation to weakly bound dimers.  Easy to use and carries out traceable calculations with the various versions of the formulae.
DEC2012 RAM36 Vadim Ilyushin's program for fitting internal rotation with 3 and 6 fold barriers made available
OCT2012 EVAL
KRA
CORSCL
All three programs significantly updated. EVAL now evaluates the much requested uncertainties in dihedral angles and CORSCL features automated prediction for single isotopic substitutions.
JUN2012 SVIEW_L Reworked keyboard input in order to cure the sporadic problem of lost keystrokes. B/W colour scheme now also possible. All users are highly recommended to upgrade.
DEC2011 PMIFST Rewritten gle script output with selection from several preset drawing styles
DEC2011 AABS Many incremental changes and several new features including:
- modified line blanking and baseline subtraction in SVIEW_L
- settable frequency axis flags (V key) and Loomis-Wood comb mode (O key) in ASCP_L
FEB2011 Data New subpage created for primary data associated with past investigations, which is also to serve as a collection of worked examples
AUG2010 PMIFST
ASCP_L
Many changes to the generated gle scripts for easier incorporation of the resulting diagrams in presentations.
AUG2010 citation
The recommended scientific paper citation for the PROSPE site (in response to specific questions on this matter from some users)
JUL2010 AABS Many changes to both ASCP_L and SVIEW_L, and to their documentation.  You need to download both EXE files and the AABS.CHM file (dated 29thJuly or later) in order to upgrade.
JUL2010 Crib_sheet
New section on 'traps for unwary SPFIT users'  added as a reaction to regular reappearance of some problems.
MAR2010 AABS Improved pure cm-1 operation when using SPFIT/SPCAT.
JAN2010 PMIFST VECTOR Upgraded to Intel Visual Fortran.
DEC2009 BELGI New version of the program for C1 symmetry uploaded by the author, as well as several utility programs to aid in the use of BELGI.
OCT2009 ERHAM New version uploaded by its author, the derived program ERHAMZ was modified accordingly, as well as programs and instructions for use of ERHAM within the AABS package.
JUN2009 RECSPE Software package for RECovery of legacy paper SPEctra
MAY2009 STRFIT Elimination of another small bug affecting the use of the Laurie parameter (that was in effect since  April2005).  Use the  H2O benchmark to check that the calculation is correct.
NOV2008 STRFIT Elimination of a bug affecting the rm(2) calculation - minor modification but relevant for the d constants
FEB2008 AABS Many further modifications and a comprehensive help system.
FEB2007 AABS Major upgrades of both ASCP_L and SVIEW_L including dynamic memory allocation and new Loomis-Wood modes.
JAN2007 QSTARK Upgrade to also carry out a weighted fit.
JAN2007 VIBCA Upgrade of program to deal with up to 100 atoms and of its PED calculation
DEC2006 BELGI Another new program added to the Internal Rotation section
JUL2006 ERHAM New program added to the Internal Rotation section
JAN2006 PISLIN Major upgrade of the program to perform checks and sorting of .LIN files for SPFIT.

Dataset checks performed by ASFIT have also been upgraded to the same level.

MAY2005 AABS Software package for Assignment and Analysis of Broadband Spectra including the use of Loomis-Wood displays and SPFIT/SPCAT or ASFIT/ASROT for fitting/prediction

The two AABS graphical viewers of spectra (SVIEW_L) and of predictions (ASCP_L) are now recommended also for standalone operation. The development of ASCP and SVIEW has been stopped, but their subpages should still be consulted for useful additional documentation.

DEC2004 ASFIT Automatic line counting, PAR+LIN output, and datafile checks for line duplication and incorrect blend specification
SEP2003 ASROT Increase in the number of lines that can be predicted and sorted
MAR2003 STRFIT Now fits also the rm(1), rm(2) , rm(1L), rm(2L), etc. geometries of Watson et al., J. Mol. Spectrosc. 196, 102 (1999).
MAR2003 ASCP Stick diagram can now optionally be augmented by a simulated spectral contour for zeroth, first or second derivative of Gaussian or Lorentzian lineshape function.
DEC2002 QSTARK Modification to the full imaginary formulation to fit the combination of mc and other dipole moment components.
APR2002 STRFIT Fitting of planar moments of inertia.
APR2002 ASFIT Fitting of blended lines.
FEB2002 RGDMIN, MIN16 New Molecular modeling section.
FEB2002 PMIFST ASCP SVIEW New CVF6.6A graphics for best Windows compliance so far, all three programs now have integral icons and their own configuration files.
JAN2002 ASFIT Addition of hii and DFBETAS statistical tests.
DEC2001 QSTARK Fitting of the chi_d constant.
DEC2001 SVIEW Improved baseline subtraction and allowance for user configurability.
SEP2001 OCS New program for generating lines of OCS for spectrometer calibration.
OCT2001 ASCP Major overhaul, including direct input of .CAT files from SPCAT.

The table of programs