Related papers: Magboltz-GUI: a Python-based graphical user interf…
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…
The OpenMX Viewer (Open source package for Material eXplorer Viewer) is a web-based graphical user interface (GUI) program for visualization and analysis of crystalline and molecular structures and 3D grid data in the Gaussian cube format…
We introduce Magrathea-Pathfinder, a relativistic ray-tracing framework that can reconstruct the past light cone of observers in cosmological simulations. The code directly computes the 3D trajectory of light rays through the null geodesic…
Crystalline interfaces are of highly importance in many practical applications. To conduct effective simulation and analysis for coincident site lattice (CSL) interfaces, effective programmes are of high demand in building their CSL…
IVISIT is a generic interactive visual simulation tool that is based on Python/Numpy and can be used for system simulation, parameter optimization, parameter management, and visualization of system dynamics as required, for example,for…
Drawing and visualisation of molecular structures are some of the most common tasks carried out in structural glycobiology, typically using various software. In this perspective article, we outline developments in the computational tools…
Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…
The area of geometry with its very strong and appealing visual contents and its also strong and appealing connection between the visual content and its formal specification, is an area where computational tools can enhance, in a significant…
Networks or graphs are widely used across the sciences to represent relationships of many kinds. igraph (https://igraph.org) is a general-purpose software library for graph construction, analysis, and visualisation, combining fast and…
We present a novel Python tool for the analysis of Geant4 simulations that enhances our understanding of coherent phenomena occurring during the interaction of charged particles with crystal planes. This tool compares the total energy of…
This article introduces MCNP-GO (https://github.com/afriou/mcnpgo), a Python package designed to manipulate and assemble MCNP input files, allowing users to assemble a set of independent objects, each described by a valid MCNP file, into a…
By combining test-particle and self-consistent techniques, we have developed a method to rapidly explore the parameter space of galactic encounters. Our method, implemented in an interactive graphics program, can be used to find the…
In non-linear systems, where explicit analytic solutions usually can't be found, visualisation is a powerful approach which can give insights into the dynamical behaviour of models; it is also crucial for teaching this area of mathematics.…
This paper presents a Python software package, Ph3pyWF, providing a more convenient platform to realize high-throughput analysis of lattice thermal conductivity for ceramic materials. The interface of Ph3pyWF is friendly for users with…
Computational Grids are emerging as a platform for next-generation parallel and distributed computing. Large-scale parametric studies and parameter sweep applications find a natural place in the Grid?s distribution model. There is little or…
We have developed PGPG (Pipeline Generator for Programmable GRAPE), a software which generates the low-level design of the pipeline processor and communication software for FPGA-based computing engines (FBCEs). An FBCE typically consists of…
Porous, atomically thin graphene membranes have interesting properties for filtration and sieving applications because they can accommodate small pore sizes, while maintaining high permeability. These membranes are therefore receiving much…
\texttt{GooStats} is a software framework that provides a flexible environment and common tools to implement multi-variate statistical analysis. The framework is built upon the \texttt{CERN ROOT}, \texttt{MINUIT} and \texttt{GooFit}…
We present the first open-source, GPU-based code for complex plasmas. The code, OpenDust, aims to provide researchers both experimenters and theorists user-friendly and high-performance tool for self-consistent calculation forces, acting on…
PyGOD is an open-source Python library for detecting outliers in graph data. As the first comprehensive library of its kind, PyGOD supports a wide array of leading graph-based methods for outlier detection under an easy-to-use,…