Releases: luechow-group/inPsights
Releases · luechow-group/inPsights
Albert Einstein
- added eigenvector visualization
- added display of electron indices
- changed display from total probability potential to probability potential differences
- cleaned ProcessMaxima to allow for minimal input files
- made clustering optional
- made energy partitioning optional
- made spin correlation optional
- made voxel yaml node optional
Marie Curie
This release adds:
- major GUI fixes and improvements
Emmy Noether Göttingen
- fix: zeta normalization was applied twice in tests
- fix: the same expansion center was used twice for the kernel distance
Emmy Noether Erlangen
- fixes a GUI bug
- adds a compiler info string to the output
- explicit Zenodo.org metadata
Emmy Noether
This release adds the following features:
- non-cubic voxels
- SED export for MacMolPlt
- sub-weights, a deselect-all button, and column header tooltips for the GUI
Max Born
This is an alpha version for the publication of the ab initio dot structures paper.