Related papers: Python GUI Scripting Interface for Running Atomic …
Small and wide angle x-ray scattering tensor tomography are powerful methods for studying anisotropic nanostructures in a volume-resolved manner, and are becoming increasingly available to users of synchrotron facilities. The analysis of…
We present the open source Astrophysical Multi-purpose Software Environment (AMUSE, www.amusecode.org), a component library for performing astrophysical simulations involving different physical domains and scales. It couples existing codes…
Recently proposed modifications of the standard particle-in-cell (PIC) method resolve long-standing limitations such as exact preservation of physically conserved quantities and unbiased ensemble down-sampling. Such advances pave the way…
Spectra emitted from ionized nebulae typically contain collisionally excited and recombination lines, which can be used to trace physical conditions and chemical abundances of the interstellar medium in our Galaxy and other galaxies.…
This paper presents EinsteinPy (version 0.3), a community-developed Python package for gravitational and relativistic astrophysics. Python is a free, easy to use a high-level programming language which has seen a huge expansion in the…
As simulation system, the variety of physics processes implemented is one of the most important functionalities. In that sense, Geant4 is one of the most powerful simulation toolkits. Its flexibility and expansibility brought by…
A computer program is a set of electronic instructions executed from within the computer memory by the computer central processing unit. Its purpose is to control the functionalities of the computer allowing it to perform various tasks.…
What kind of programming language would be most appropriate to serve the needs of integrative, multi-paradigm, multi-software-system approaches to AGI? This question is broached via exploring the more particular question of how to create a…
Although birthed in the era of teletypes, the command line shell survived the graphical interface revolution of the 1980's and lives on in modern desktop operating systems. The command line provides access to powerful functionality not…
PyPWA is a toolkit designed to optimize parametric models describing data and generate simulated distributions according to a model. Its software has been written within the python ecosystem with the goal of performing Amplitude or Partial…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…
Python is a popular programming language known for its flexibility, usability, readability, and focus on developer productivity. The quantum software community has adopted Python on a number of large-scale efforts due to these…
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing an extendable and flexible interface. The open-source idea…
Graphical User Interface (GUI) agents, powered by Large Foundation Models, have emerged as a transformative approach to automating human-computer interaction. These agents autonomously interact with digital systems or software applications…
Machine learning solutions are very popular in the field of chemoinformatics, where they have numerous applications, such as novel drug discovery or molecular property prediction. Molecular fingerprints are algorithms commonly used for…
In the field of computational fluid dynamics, direct numerical simulations generate highly detailed data for the analysis of turbulent flows by resolving all relevant physical scales. Yet their large size, complexity, and heterogeneity make…
I present a Python package developed for fitting Voigt profiles to absorption lines. The software fits multiple components for various atomic lines simultaneously allowing parameters to be tied and fixed. Moreover, the code is able to…
We review design and development decisions and their impact for the open source code Nmag from a software engineering in computational science point of view. We summarise lessons learned and recommendations for future computational science…
Teaching object-oriented programming in an introductory programming course poses considerable challenges to the instructor. An often advocated approach to meeting this challenge is the use of a simple, object-oriented graphics library. We…
The emission lines from ionized nebulae allow us to determine their physical and chemical properties, along with the interstellar extinction. "pyEQUIB" is a pure Python open-source package including several application programming interface…