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Keywords | |
Abstract |
We present a library of routines whose main goal is to read and write exchangeable files (NetCDF file format) storing electronic structure and crystallographic information. It is based on the specification agreed inside the European Theoretical Spectroscopy Facility (ETSF). Accordingly, this library is nicknamed ETSF\.IO. The purpose of this article is to give both an overview of the ETSF\.IO library and a closer look at its usage. ETSF\.IO is designed to be robust and easy to use, close to Fortran read and write routines. To facilitate its adoption, a complete documentation of the input and output arguments of the routines is available in the package, as well as six tutorials explaining in detail various possible uses of the library routines. |
Year of Publication |
2008
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Journal |
COMPUTER PHYSICS COMMUNICATIONS
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Volume |
179
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Number of Pages |
748-758
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Date Published |
NOV 15
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URL |
http://dx.doi.org/10.1016/j.cpc.2008.05.007
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DOI |
10.1016/j.cpc.2008.05.007
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