What is this project?

Python framework for working with atomic configurations, potentials, and algorithms.

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graeme
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What is this project?

Post by graeme » Sun May 15, 2005 12:01 am

There is a growing movement to use python as a scripting language as an interface between codes written in different languages. Python has a built in command line interface and hooks into several graphics and math packages. We would like to wrap potentials written in C, C++, and Fortran so they can be accessed in a common way from python. The framework is able to load configuration files in several different formats, and can be used as a converter. If we can keep the project simple and the code useful, we would like to add a graphical user interface.

This project was inspired by Art Voter's elegant clsman program and the codes developed at CAMP which have many of these capabilities. William Stier and I started this code, but we welcome other developers. We also need a better name!

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