Sharing electronic structure and crystallographic data with ETSF_IO

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.Program summaryProgram title: ETSF_IOCatalogue identifier: AEBG_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBG_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Gnu Lesser General Public LicenseNo. of lines in distributed program, including test data, etc.: 63 156No. of bytes in distributed program, including test data, etc.: 363 390Distribution format: tar.gzProgramming language: Fortran 95Computer: All systems with a Fortran95 compilerOperating system: All systems with a Fortran95 compilerClassification: 7.3, 8External routines: NetCDF, http://www.unidata.ucar.edu/software/netcdfNature of problem: Store and exchange electronic structure data and crystallographic data independently of the computational platform, language and generating softwareSolution method: Implement a library based both on NetCDF file format and an open specification (http://etsf.eu/index.php?page=standardization)