This repository summarizes the initial work on what has now become a software package called the paraprobe-toolbox. This is a collection of software for strong-scaling distributed- and shared-memory CPU-parallelized tools for mining atom probe tomography data as well as GPU-parallelized tools for atom probe crystallography. The software was developed at the Max-Planck-Institut für Eisenforschung GmbH (MPIE) in Düsseldorf.
This repository contains the relevant code of the initial work on the project. I consider the version here v0.1. This version contained a number of post-processing routines that were integrated into a single C++ application. With more and more requests and questions to address, maintaining this implementation became no longer efficient. Consequently, I separated the individual functionalities into own tools, added a Python scripting interface, all with the aim to make the project easier for me to maintain, to develop the tools functionally further, and thus improve their value for the community.
Fast forward to 2022, the project has grown with now a number of case studies seen which lead to a functional improvement. Some of them were reported in publications that have lead to version v0.2 of the software. Version v0.2 is documented with the following repository http://gitlab.mpcdf.mpg.de/mpie-aptfim-toolbox/paraprobe/
It was nice to grow with the project as a programmer; and while doing so, the time in fact great and very instructive time at the MPIE came to an end. I am thankful for having had the chance of working together with many very supportive colleagues, especially Franz Roters, Baptiste Gault, Andrew Breen, and Dierk Raabe to name a few. With the German National Research Data Infrastructure in the building kicking off at around 2020 I felt it was time to move on with my journey in the field of data-centric research at the interface of (applied) condensed-matter physics and materials engineering.
To assure that the benefits of the paraprobe-toolbox get not lost and - most importantly - to remain able in the future to offer the software via an MPCDF/MPIE-independent repository, I have decided to communicate the new developments of the software via a different repository:
https://gitlab.com/paraprobe/paraprobe-toolbox
Therefore, the specific code in this repository will no longer be maintained but the majority of the functionalities have been migrated and developed further. A preprint with a summary of the newer developments to functionalities of the paraprobe-toolbox is available here:
https://arxiv.org/abs/2205.13510
Thanks to the continued support and many atom probers, I am thankful that the project can continue. With the integration into the research data management system NOMAD OASIS of the FAIRmat project, I am convinced that we are heading for a bright and interesting future with the paraprobe-toolbox to continue supporting scientists who wish to apply complementary computational methods on their atom probe data which are off-the-beaten path and which show a glimpse of what is possible with open-source community-driven software.
Please consider the code in the new repository the relevant one in the future. As usual feel free to contact me with specific questions about the paraprobe-toolbox and questions about research data management related to e.g. atom probe, electron microscopy, and multi-scale materials modeling techniques: