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README
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README
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------------------------------------------------------------------------
* Master Equation Solver for Multi Energy-well Reactions (MESMER)
*
* Struan H. Robertson [email protected]
* Chris Morley [email protected]
* Chi-Hsiu Liang Univ. Leeds [email protected]
* David Glowacki Univ. Leeds [email protected]
------------------------------------------------------------------------
I. Introduction
II. Directories and Files
III. Installation
Introduction
------------
The program is named MESMER, which stands for Master Equation Solver for Multi-Energy well Reactions.
It is 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.
ollowing features are provided in this program:
1. Use standard XML data representation as input stream, in which comments are easily inserted/removed to assist human readability.
2. Open source C++ codes, that can be compiled on most plateforms.
3. References are given in proper positions where the methodologies are used.
4. MESMER is released with a GNU LESSER GENERAL PUBLIC LICENSE, see license.txt.
Directories and Files
---------------------
Main directories are listed:
/src all source files
/bin binaries files from UNIX/Linux systems are exported
/MesmerQA Qaulity Assesment files
/Windows VC8 Windows porject files
/Documentation documentation
/examples example input files
/qd quad-double/double-double library from Yozo Hida et al. (http://www.cs.berkeley.edu/~yozo/)
/tinyxml tinyxml library, given ability of reading/writing XML files
Installation
------------
-- Install libraries
QD: The installation of library qd has to be made to the system default directory,
which is "/usr/local" for many UNIX/Linux systems. To install qd on your platform
please follow the direction of the file INSTALL in the qd directory.
TINYXML: