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inhouse Mesmer3.0 code based on Leeds' Mesmer
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zhugeyicixin/Mesmer3.0
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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:
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