Includes some bugfixes coming from CENSO 2.1.3
- fixed a bug when trying to use xtb ANCOPT with ORCA in the geometry optimization
- fixed a bug when trying to use CPCM
- fixed a bug when trying to change settings for the NMR calculations (e.g. turning off the couplings calculation)
Also added some features temporarily removed from 2.1.3
- readded constraints for the geometry opimization
Furthermore, the installation with pip, especially for the supplementary scripts, is now fixed. Running CENSO without installation using pip is still possible using the censo helper script.