qcscine/utilities: Release 6.0.0 ...

• Main Authors: Baiardi, Alberto, Bensberg, Moritz, Bosia, Francesco, Brunken, Christoph, Csizi, Katja-Sophia, Grimmel, Stephanie A., Gugler, Stefan, Haag, Moritz P., Heuer, Michael A., Müller, Charlotte H., Polonius, Severin, Simm, Gregor N., Sobez, Jan-Grimo, Steiner, Miguel, Türtscher, Paul L., Unsleber, Jan P., Vaucher, Alain C., Weymuth, Thomas, Reiher, Markus
• Format: Software
• Language: unknown
• Published: Zenodo 2022
• Subjects: Eta; Pauling; Orca
• Online Access: https://dx.doi.org/10.5281/zenodo.6984574; https://zenodo.org/record/6984574

Changes: Newton Trajectory: Added new extraction options and improved eta bonds in NT2 Added more solvents for the Turbomole input creator Added the Pauling electronegativity scale. This is available through the ElementInfo. Added solvate function to place any mixture of solvents around solute. Peri...