Search Results for "numerical python files"
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Showing 2 open source projects for "numerical python files"
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**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy ** Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.
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NaRIBaS
Unix-based preparation and analysis toolbox for molecular simulations
...Task specific input and preparation or analysis function, are easy expandable to meet the scientific characteristic of constant changing properties. Concepts for efficiently storing and analysing large files in conjunction with graphical visualization and numerical data processing are presented in a Manual. A documented script collection that allows reproducing all simulations and analysis results presented in the Doctoral thesis of the author.
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