GNXAS NEWSThe latest release of the gnxas package compiled by the XAS group @ Camerino University is the 12.2023 (linux, gfortran compiler, 64bit). Other available releases are the 12.2006 (linux, g77 compiler) and 11.2013 (linux, gfortran compiler) versions. These programs can be used also on other platforms (for example Windows using WSL) creating an embedded Linux system and following specific instructions (please refer to the guide written by M. Minicucci and A. Trapananti). Other versions compiled for Mac and Windows-based computer are also available upon request by our collaborators (see below and download webpages). The w-GNXAS programs (GUI interface) are also available upon request (see below). 20 December 2023 - Important changes in the programs involving precision issues and outputs compatible with gnuplot graphic software have been made. Details about the gnxas upgrade are contained in this document. 10 August 2021 - Important additional features are included in the present release: 1) A new program named "phagen_rel" calculating the scattering matrix including relativistic effects. The new program can be used in place of the standard "phagen" one when dealing with high-Z atomic species. Input and output were designed to be ready for a smooth usage within the GNXAS chain. The program was mainly coded by C. R. Natoli and tested by N. Hara, A. Di Cicco and G. Tchuodinov. Filename extensions for scalar relativistic phase shifts to be used are .sr (scattering matrix), .s0_sr (atomic cross-section). They can directly substitute files .tl and .s0 produced by 'phagen'. Details can be found elsewhere. 2) The rapid EXAFS extraction JESF routine has been revised into the new program NEWJESF for handling datafiles produced at modern beamlines. The usage is self-explanatory, output files for gnuplot and TopDrawer include relevant curves related to the EXAFS extraction (spline, normalization, derivative, EXAFS curves, Fourier Transform). Minor problems in running the 'crymol' program have been solved. 14 December 2017 - The w-GNXAS programs (GUI interface) are now available for downloading (Linux and Windows versions, see download page). More information can be found in reference paper for this project and in the README file accompanying the distribution. 14 June 2016 - A new user-friendly graphical user interface (GUI) has been developed to facilitate use of the GNXAS codes by using wxPython. The new GUI and the codes (based on the 11.2013 GNXAS version) are multiplatform running on Windows, Macintosh and Linux systems, and are currently free shareware. The GUI has not been widely tested so it should be considered a preliminary version. The GUI interface project has been coordinated by Keisuke Hatada so any problem should be addressed to him. Please read the reference paper for this project. 25 July 2015 - The current new version (11.2013) of the GNXAS suite of programs has been compiled using the gfortran compiler over several different platforms (Linux Ubuntu 32 bit, Linux RedHat6.3 64 bits, Mac 10.6.8 Mountain Lion, Mac 10.8.5 Snow Leopard). 32 bit versions run on 64 bit machines both for Linux and Mac. Preparation of the sources have been carried out by K. Hatada. The programs have been not extensively tested but to the best of our knowledge they run smoothly on several different computers and platforms. GNXAS users should not need libraries or compilers for the installation because those versions are statically-linked programs. Programs have an expiration date and must be reinstalled after the given expiration date. Please refer to the GNXAS manual(s) for proper usage of the software. The technical and scientific features of the current GNXAS version (11.2013) are identical to those of version 12.2006 described in the website and in the manuals. The previous (dynamic-linked) version of GNXAS, compiled using the g77 compiler is still available (12.2006) for Linux systems. Please report any problem/misfunction using this version of the programs to K. Hatada, F. Iesari, or A. Di Cicco.
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For information about GNXAS please contact: Andrea Di Cicco For information about the versions compiled for Mac, Windows or for the GUI GNXAS interface please contact: Keisuke Hatada Fabio Iesari |
