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Mesmer6.1_Windows_Installer.exe 2021-07-17 27.5 MB
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ReadMe.txt 2021-07-17 1.6 kB
Mesmer6.1-source.tar.gz 2021-07-17 15.7 MB
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MESMER manual.pdf 2021-07-17 1.6 MB
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MESMER GUI tutorial.pdf 2021-07-17 571.1 kB
Totals: 5 Items   45.4 MB 0 
           MESMER (Master Equation Solver for Multi Energy-well Reactions) 

Models the interaction between collisional energy transfer and chemical reaction
for dissociation, isomerization and association processes.

It is capable of solving the energy grained master equation (EGME) for a unimolecular
system composed of an arbitrary number of wells, transition states, sinks, and reactants.

Mesmer is a command line program and should be run by first opening a DOS window,
normally with the current directory as the folder containing the input file. Then type:

  mesmer infile.xml
  
A Start Menu Programs item contains links to:

 - The Mesmer folder. Subfolders contain examples and it is recommended that you base
   your own initial datafiles in parallel subfolders.

 - MESMER manual.pdf

 - a tutorial on using the MESMER GUI (a web program) to construct simple data files.

To check that the program is working properly, open a DOS window in the Mesmer folder,
move to its MesmerQA sub-folder, and type QA.bat.
This runs several example files and checks that the output is as expected. 

To edit and recompile the C++ source code for Mesmer, download the project from
SourceForge via SVN.

Mesmer on SourceForge: https://sourceforge.net/projects/mesmer/
   
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* Struan H. Robertson Univ. Leeds    struanhrobertson@gmail.com
* Paul Seakins        Univ. Leeds    P.W.Seakins@leeds.ac.uk
* Mark Blitz          Univ. Leeds    M.A.Blitzg@leeds.ac.uk
Source: ReadMe.txt, updated 2021-07-17