Software

ChASE

CH

ChASE is a modern and scalable library to solve dense Hermitian (Symmetric) algebraic eigenvalue problems based on a spectral polynomial filter. The library is fully parallelized, and is particularly effective for sequences of eigenproblems as they often arise in electronic structure theory.

Updated 2 months ago
4 4

ELECTRODE

EL

ELECTRODE extends the atomistic simulation tool LAMMPS to model different types of electrochemical situations. Simulations are performed at constant potential or constant charge using different approaches to control potential or charge at the electrodes.

Updated 1 month ago
2 4

FLEUR

FL

FLEUR is a feature-full, freely available FLAPW (full-potential linearized augmented-plane-wave) code, based on density-functional theory. This highly precise all-electron approach is universally applicable to all atoms of the periodic table and to systems with compact as well as open structures.

Updated 3 weeks ago
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GR Framework

GR

GR is a universal framework for cross-platform visualization applications. Applications range from publication quality 2D graphs to the representation of complex 3D scenes. It can be used in imperative programming systems or modern object-oriented systems, in particular those based on GUI toolkits.

Updated 2 months ago

FESOM

FE

FESOM (Finite-Element/volumE Sea ice-Ocean Model) is a multi-resolution sea ice-ocean model that solves the equations of motion on unstructured meshes.

Updated 3 months ago