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Toward a Common Data and Command Representation for Quantum Chemistry Couch P.A. Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA44AD, UK. Introduction The...
The data model design A way of specifying XML representations for quantum chemistry concepts is required, and can be achieved using W3C XML schemas. XML schemas are...
Data Modelling for Computational Chemistry ...
Data Representation This page provides links to UML and XML schema data models and examples of markup. Markup examples Entities http://tyne.dl.ac.uk/twiki/pub/ECCP...
Developing a Data Model for Computational Chemistry Outline of discussion topics On this page you will find a summary of the issues that have arisen so far in our...
Development Area Basis set atomic basis set example orbital example: Li2 orbital example: O (atom) PhilipCouch 28 Feb 2005
Data type requirements . The initial document is based on the open discussions at the NeSC meeting `Toward a Common Data and Command Representation for Quantum Chemistry...
Number of topics: 7

Topic revision: r26 - 30 Oct 2006 - PhilipBarker
 
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