MMT aims to provide researchers, especially those developing new model of molecular force fields, with a code basis that can be modified and extended to solve their own problems.
In a chemical point of view, a molecule is not mere glob of atoms. The model introduces chemical bonds and hierarchical composition of atomic groups which result in various data structures in the program. But the internal details of the data structure is much less important than the interface that defines the behaviors of the atomic groups. So the abstraction mechanism for hiding these details is necessary to share and reuse the codes. Otherwise the program tends to be too complicated like C or fortran codes.
To reduce this complication, MMT uses an object-oriented model. A molecule is expressed as a composite object whose component is also a composite one. The basic component is of course an atom object. The force filed is also made up of these components. These objects are defined as C++ classes which behaves as abstract data types. Data abstraction nature of object-oriented programming (OOP) allows objects of various types to interact with each other, without having to know about the internals of objects involved.
Thus, for sharing and reusing MMT codes, all you have to understand is just the interface of classes.
Still not available. The project's files will be accessible through anonymous CVS from the SourceForge repository.
This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
If you would like to collaborate, please e-mail to me (email@example.com) .
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