Projekteja vuodessa
Description
Just for GitHub, to get DOI. Otherwise the same, as before:
First public release. The version 1.0.0 is still far from being ideal. However tested with FireballTG, FHI-aims and CP2K. GUI should be also working. Still missing:
d vs d orbitalsunderstanding problem of lower d orbital ratio for the FePc calculation, after revision of the code
automatic rescaling, due to different elements/electrostatics
And plenty of more probably.
The title and description of this software/code correspond with the situation when the software metadata was imported to ACRIS. The most recent version of metadata is available in the original repository.
First public release. The version 1.0.0 is still far from being ideal. However tested with FireballTG, FHI-aims and CP2K. GUI should be also working. Still missing:
d vs d orbitalsunderstanding problem of lower d orbital ratio for the FePc calculation, after revision of the code
automatic rescaling, due to different elements/electrostatics
And plenty of more probably.
The title and description of this software/code correspond with the situation when the software metadata was imported to ACRIS. The most recent version of metadata is available in the original repository.
| Koska saatavilla | 2022 |
|---|---|
| Julkaisija | Zenodo |
Dataset Licences
- Other
Projektit
- 1 Päättynyt
-
QMKPFM: Quantum approach to modelling high resolution Kelvin Probe Force Microscopy
20/12/2019 → 04/03/2022
Projekti: EU: MC