v1.5.2

• Fixed bug for using constraints with large molecules in CREST (related to long atom lists
  in the .xcontrol.sample file that weren't compatible with subprocess.run())
• Fixed bug when using squareplanar templates with ligands that bond with the metal centers
  with the same type of atom (but they are different ligands)
• Added the 'Ir_squareplanar' geometry rule
• Better print for command lines (more reproducible commands)
• QDESCP adds an initial xTB optimization before the single-points (before, the descriptors
  were obtained from RDKit geometries, and they were pretty bad for metal complexes)
• The aqme.py file now takes all the arguments from command lines with vars(args)
  without specifying the argument names explicitly in the code
• Added the chk_path option to add PATH into chk lines
• Added the xtb_opt option to optionally disable the initial xTB geometry optimization in QDESCP
• Fixed a bug when an xTB calc failed, the whole QDESCP workflow stopped (now the specific
  conformer just gets ignored)
• Fixed bug when GB or MB were not part of the mem argument in QPREP-ORCA
• Added the qdescp_opt option for adjusting the convergence criteria of xTB in QDESCP
• DBSTEP calcs are deactivated by default in QDESCP (activate them with --dbstep_calc)