AJAC: Atomic data calculation tool in Python

Abstract

In this work, new features and extensions of a currently used online atomic database management system are reported. A multiplatform flexible computation package is added to the present system, to allow the calculation of various atomic radiative and collisional processes, based on simplifying the use of some existing atomic codes adopted from the literature. The interaction between users and data is facilitated by a rather extensive Python graphical user interface working online and could be installed in personal computers of different classes. In particular, this study gives an overview of the use of one model of the package models (i.e., electron impact collisional excitation model). The accuracy of computing capability of the electron impact collisional excitation in the adopted model, which follows the distorted wave approximation approach, is enhanced by implementing the Dirac R-matrix approximation approach. The validity and utility of this approach are presented through a comparison of the current computed results with earlier available theoretical and experimental results. Finally, the source code is made available under the general public license and being distributed freely in the hope that it will be useful to a wide community of laboratory and astrophysical plasma diagnostics.

Pattern recognition and data mining software based on artificial neural networks applied to proton transfer in aqueous environments

“…Afterwards, the proposed tool will simply enable the technical analysis of several important chemical properties, by means of the EVB code output graphical data, having the aim of enhancing the performance and efficiency for systems of a large number of molecules and for atomic open source codes (e.g. EVB code; AJAC code [29] ) to be published freely with its documentations including the binary file of the EVB code for public benefit under the GNU GPL license, so that people can redistribute it, improve it, and describe it. It will be designed to work under multi-operating systems including UNIX, LINUX, WINDOWS, MAC, and Android.…”