Aron Walsh
Results
3
issues of
Aron Walsh
**Describe the bug** I have been having fun playing with `xtb`, but I keep running into a problem for crystals. I raise it here as I have checked with the...
method: xTB
Dear developers. It would be very nice to make this code compatible with FHI-AIMS (or other codes through ASE). Many thanks, Aron
Adding the package to https://pypi.org would make the code easier to introduce in workflows with `pip install pdyna`
enhancement