CCL: MESMER 6.1

 Sent to CCL by: "Mark Andrew Blitz" [m.blitz{=}leeds.ac.uk]
 Dear Colleague,
 On behalf of the MESMER team, we are delighted to announce that MESMER
 6.1 (Master Equation Solver for Multi Energy-well Reactions) is now
 available for download.
 MESMER is designed to analyze and simulate reactions in the gas phase
 that take place on a potential energy surface that is characterized by
 having one or more potential wells, and which are typically described by
 rate coefficients that depend on pressure (or concentration) as well as
 temperature. MESMER allows you to simulate systems over a wide range of
 pressures and temperatures, extract rate coefficients, analyze
 experimental data, fit model parameters and represent rate coefficients
 in formats that can be used directly in large scale simulations (e.g.
 Cantera or Chemkin).
 The Windows installer and Linux tar file are located at:
 http://sourceforge.net/projects/mesmer/
 The source can also be viewed and downloaded from this site. There are
 also bug and feature request tracking facilities which we encourage you
 to use.
 MESMER 6.1 is largely a maintenance release, but includes the following
 new features:
 	Biexponential down energy transfer model.
 	Lennard-Jones parameter calculation for compounds investigated by
 Jasper.
 	Extension of definition of diffusive loss in trace fitting. We
 thank Timo Pekkanen of the University of Helsinki, for suggesting this
 change.
 MESMER Input, bug fixes and Other Changes:
 	QD libraries used to provided extended precision have been
 upgraded to version 2.3.22. Note this update will require a change to
 build scripts as the QD library is generated in a sub directory. See
 manual for details.
 	Deprecated keywords. Some keywords are to be retired and these
 are listed in the manual.
 	An issue with reading the reference temperature used in the ILT
 method has been addressed.
 We thank Timo Pekkanen and Prasenjit Seal of the University of Helsinki
 for bringing the following issues to our attention:
 	An issue with extended ILT has been addressed.
 	An issue with derived Arrhenius parameters has been addressed,
 e.g., a given pre-exponential factor can now be derived from another pre-
 exponential factor.
 	An issue with the weighted trace fitting for an equilibrating
 system with diffusive loss terms has been addressed.
 	An issue with reactions with multiple transition states has been
 addressed.
 If you have any comments or suggestions, please do not hesitate to let us
 know, either through the above site or by email (Mark
 Blitz(M.Blitz-.-leeds.ac.uk) and Struan Robertson
 (struanhrobertson-.-gmail.com) would be very happy to receive feedback).
 More information is available at the MESMER website:
 http://www.chem.leeds.ac.uk/mesmer.html
 Also some of the implementation details of MESMER are described in
 Journal of Physical Chemistry A, 95459560, 116 (2012).
 A web based graphical user interface for creating MESMER input files,
 developed by Dr. Xiaoqing You and colleagues of the University of
 Tsinghua, in collaboration with the MESMER team, is available for testing
 and can be found at the following address:
 http://www.mesmergui.cn/
 Dr. You and the MESMER team would welcome feedback on this interface.
 Regards,
 Mark Blitz and Struan Robertson