features
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
features [2019/12/12 15:07] – tsaue | features [2019/12/12 21:50] – tsaue | ||
---|---|---|---|
Line 12: | Line 12: | ||
* Reference: T. Fleig, M. K. Nayak and M. G. Kozlov //TaN, a molecular system for probing P, | * Reference: T. Fleig, M. K. Nayak and M. G. Kozlov //TaN, a molecular system for probing P, | ||
- | === Improvements | + | == Improvements == |
* Improved root tracking | * Improved root tracking | ||
* Use Kramers conjugation on doubly degenerate CI vectors in GASCIP code (cuts time for CI in half for ESR doublets) (Hans Jørgen) | * Use Kramers conjugation on doubly degenerate CI vectors in GASCIP code (cuts time for CI in half for ESR doublets) (Hans Jørgen) | ||
- | ==== Bugfixes | + | == Bugfixes == |
* DFT magnetizatibilities with LAOS and symmetry (Gosia Oejniczak and Trond Saue) | * DFT magnetizatibilities with LAOS and symmetry (Gosia Oejniczak and Trond Saue) | ||
* Resolved runtime issues in KRCI property modules (Malaya K. Nayak) | * Resolved runtime issues in KRCI property modules (Malaya K. Nayak) | ||
- | ==== Change of defaults | + | == Change of defaults == |
* Upgrade to python3 | * Upgrade to python3 |
features.txt · Last modified: 2024/02/21 16:21 by aspg