nlesc-nano/CAT: CAT 0.10.6

What's Changed

• ENH: Allow multiple values for the bulkiness latice spacing by @BvB93 in https://github.com/nlesc-nano/CAT/pull/233
• BUG: FIx an issue wherein optimized geometries were not correctly written to the .hdf5 file by @BvB93 in https://github.com/nlesc-nano/CAT/pull/234
• BUG: Ensure that the ligand is properly aligned after PLAMS optimizations by @BvB93 in https://github.com/nlesc-nano/CAT/pull/235
• ENH: When optimizing ligand conformations, fully relax the geometry before computing the cost function by @BvB93 in https://github.com/nlesc-nano/CAT/pull/237
• ENH: Improve the optimized geometries of linear ligands by @BvB93 in https://github.com/nlesc-nano/CAT/pull/238
• ENH: Add a new workflow for computing ligand cone angles by @BvB93 in https://github.com/nlesc-nano/CAT/pull/239

Full Changelog: https://github.com/nlesc-nano/CAT/compare/0.10.5...0.10.6