Software

Homepage: https://libertem.github.io/LiberTEM/ GitHub repository: https://github.com/LiberTEM/LiberTEM/ PyPI: https://pypi.org/project/libertem/ LiberTEM is an open source platform for high-throughput distributed processing of large-scale binary data sets and live data streams using a modified MapReduce programming model . The current focus is pixelated scanning transmission electron microscopy ( STEM ) and scanning electron beam diffraction data. [...]

AiiDA plugin for Jülich KKR codes (https://jukkr.fz-juelich.de)

Allocation processes for High Performance Computing (HPC) resources like computing time or storage and data processing resources can contain complex workflows with different roles and user groups involved. We have designed and implemented the Joint Application, Review, and Dispatch Service (JARDS) software for the management of such processes. [...]

AiiDA-Spirit version 0.2.1

We provide here small Maple scripts for the calculation of Hubbard matrices and their subsequent downfolding by Loewdin's partitioning

We provide here small Maple scripts for the calculation of Hubbard matrices and their subsequent downfolding by Loewdin's partitioning

The Spirit framework is designed for atomic scale spin simulations of magnetic systems of arbitrary geometry and magnetic structure, providing a graphical user interface with powerful visualizations and an easy to use scripting interface. An extended Heisenberg type spin-lattice Hamiltonian including competing exchange interactions between neighbors at arbitrary distance, higher-order exchange, Dzyaloshinskii-Moriya and dipole-dipole interactions is used to describe the energetics of a system of classical spins localised at atom positions [...]

The PEPC project (Pretty Efficient Parallel Coulomb Solver) is a public tree code that has been developed at Jülich Supercomputing Centre since the early 2000s. Our tree code is a non-recursive version of the Barnes-Hut algorithm, using a level-by-level approach to both tree construction and traversals. [...]

The PEPC project (Pretty Efficient Parallel Coulomb Solver) is a public tree code that has been developed at Jülich Supercomputing Centre since the early 2000s. Our tree code is a non-recursive version of the Barnes-Hut algorithm, using a level-by-level approach to both tree construction and traversals. [...]