The following threads will keep you updated on the upcoming GIMS releases.
1.1.0, released in February, 2023, adds the following functionality to GIMS:
- Structure Builder
A new Surface (Slab) construction field: allows a user to build the slab from the crystalline structure based on the Miller indices of the slab surface, the desired number of atomic layers of the slab and the thickness of the vacuum layer surrounding the slab. Once the slab is built, one can also terminate it with a layer of the desired chemical composition.
Added the Constrain/Release all atoms button to the Atoms section, making it simple to add a constraint to all atoms in one mouse click.
- Control generator
Completely refactored Control Generator Form creation, effectively decoupling from the components the logic of one Form component acting on another. This made possible advanced filtering of the components shown based on the state of other components and the Structure given in the previous step.
Introduced a new Form component,
RadioField, used for exclusive selection of one component from the group.
Added the output flags for Mulliken and Hirshfeld charge distributions.
- Output analyzer
Added Mulliken and Hirshfeld charge distribution visualization.
Fixed a bug with symmetry threshold not propagating correctly across different parts of code.
Added GIMS version selector in the header.
Rewritten the Docker file to get more stable and production-ready Docker environment; added CD rule pointing GIMS-dev server to the HEAD of the
masterbranch of the repository.
Added end-to-end testing.
Many bugs are fixed, (I hope not so) many are introduced. If you encounter a bug, we’d be happy if you report it to our issue tracker.
The section Changelog describes and documents the implementation of new features, fixes and so on, of all releases.