Software development demonstrates an object-oriented scripting interface for legacy electronic structure code, highlighting improved flexibility without rewriting core numerical routines.
The authors have created an object-oriented scripting interface to a mature density functional theory code. The interface gives users a high-level, flexible handle on the code without rewriting the underlying number-crunching code. The authors also discuss the design issues and advantages of homogeneous interfaces.
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Bahn et al. (2002) studied this question.
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