Releases: dftd4/dftd4-fit
Releases · dftd4/dftd4-fit
v0.2.1
What's Changed
- Create second option for input format by @marvinfriede in #9
- Fix input formats by @marvinfriede in #10
Full Changelog: v0.2.0...v0.2.1
DFT-D4 Fit v0.2.0
What's Changed
- Implementation of
minpack
library by @marvinfriede in #1 - replaced
enorm
withnorm2
by @marvinfriede in #2 - Revert changes to read_record by @haneug in #4
- Allow settings bounds via CLI by @marvinfriede in #5
- Remove unused variables by @marvinfriede in #6
- Minor workflow update by @marvinfriede in #7
New Contributors
- @marvinfriede made their first contribution in #1
- @haneug made their first contribution in #4
Full Changelog: https://github.com/dftd4/dftd4-fit/commits/v0.2.0