- Enable parsing of "SCF energy" and "Total energy" from QCOutput for Q-chem 6.1.1+. (@Jaebeom-P)
- Fix dict equality check with numpy array (@DanielYang59)
- Fix usage of strict=True for zip in cp2k.outputs (@DanielYang59)
- Fix bug with species defaults (@tpurcell90)
- SLME Bug Fixes (@kavanase)
Contributors
tpurcell90, kavanase, and 2 other contributors