CENSO in version 1.1.0

⚠️This release introduces new handling of density functional names. Therefore a new .censorc and ~/.censo_assets/censo_nmr_ref.json should be created.

• new density functional name handling, which also enables use of different dispersion corrections
for information on the available functionals call censo -tutorial and then choose functionals in the tutorial menu.
• fix for pyinstaller created binaries on some suse systems concerning LD_LIBRARY_PATH
• improved automated supporting information creation
• restart at different temperature possible if other temperatures have been calculated before (get Boltzmann factors at different temperatures), be aware that the sorting of an ensemble within CENSO is threshold dependent and that for higher temperatures larger thresholds are required
• gbsa_gsolv, alpb_gsolv, smd_gsolv from now on can be used at different temperatures, but they do not have a temperature dependence!
• updated nmr_ref data (shielding constants) to include the basisS information
• printout number of structures in part4/ part5
• more precise error output