Organizer: Anthony Thornton (antrthorn@googlemail.com, University of Twente, Netherlands)
MercuryDPM is a code for discrete particle simulations. That is, it simulates the motion of particles, or atoms, by applying forces and torques that stem either from external body forces, (e.g. gravity, magnetic fields, etc...) or from particle interaction laws (e.g. Lennard-Jones). For granular particles, these are typically contact forces (elastic, plastic, viscous, frictional), while for molecular simulations, forces typically stem from interaction potentials (e.g. Lennard-Jones). The code has been developed extensively for granular applications, but could be adapted to include long-range interactions as well.
It was started by Anthony Thornton and Thomas Weinhart, and has been developed by many people since it was started. MercuryDPM is a very versatile, object-orientated C++ code which is easily understandable. It has been tested for several Linux distributions, Mac OS and Windows 10. The user specifies the particulars of their simulation (initial positions, inflow, outflow, walls, interaction parameters) in a single driver file, which calls the kernel to do the simulations. All kernel functions are documented here, and there are several driver samples available. To avoid breaking already existing code a suite of self-tests have been developed testing pre-existing features of the code.
Organizer: William McNeice (williammcneice@openedg.org, OpenEDG Python Institute, United States)
Python is one of the most important programming languages in the world. It is particularly useful in the world of scientific computing, where its simplicity and ease of use enable scientists and researchers to take advantage of ever more powerful tools. There is a vast universe of applications where Python is deployed. Due to the enormous growth in popularity of the Python language, the need for certification exams has arisen. With the emergence of the Python certification industry, certain issues have appeared, most notably, how to ensure that certification exams are relevant to the industry they wish to serve, and how to create a certification exam that accurately tests a candidate’s abilities in Python? OpenEDG Python Institute has set out to become the Python certification standard worldwide. In our presentation, we explore these topics through concrete examples of our own exams, and share some of the insights we have gained through psychometric analysis.
Organizer: David Pánek (panek50@fel.zcu.cz, University of West Bohemia, Czech Republic)
The Agros Suite project is a comprehensive tool for solving a wide range of partial differential equations (PDEs) encountered in various technical science fields, with a primary focus on electromagnetics. In addition to electromagnetic fields, the Agros Suite allows for solving temperature fields, flow fields, mechanical and thermal deformations, and acoustic fields. These fields can be analyzed in steady-state, harmonic, and transient modes, accounting for possible nonlinearities. The suite also supports the solution of coupled problems through both weakly coupled and hard-coupled formulations. Significant features of the software include h-, p-, and hp-adaptivity, multi-meshing, and time adaptivity. Agros Suite contains a Python-based wrapper and tools for classical, Bayesian, and multi-objective optimizations. The workshop will focus on presenting the new version, Agros Suite 2024, and discussing the possibilities for future development of this software.