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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| Mesmer6.0_Windows_Installer.exe | 2020-05-03 | 26.4 MB | |
| Mesmer6.0-source.tar.gz | 2020-05-03 | 13.7 MB | |
| MESMER GUI tutorial.pdf | 2020-05-02 | 571.1 kB |
|
| ReadMe.txt | 2020-05-02 | 1.7 kB |
|
| MESMER manual.pdf | 2020-05-02 | 1.6 MB | |
| Totals: 5 Items | 42.3 MB | 2 | |
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/ ---------------------------------------------------------------------------------------------------- * Struan H. Robertson Univ. Leeds struanhrobertson@gmail.com * Paul Seakins Univ. Leeds P.W.Seakins@leeds.ac.uk * David Glowacki Univ. Bristol David.R.Glowacki@bristol.ac.uk * Robin Shannon Univ. Leeds shannon.rj@gmail.com * Mark Blitz Univ. Leeds M.A.Blitzg@leeds.ac.uk