Closed BvB93 closed 4 years ago
Implementation of https://github.com/nlesc-nano/nano-CAT/issues/49:
diameter
None
bulk_workflow()
Implementation of https://github.com/nlesc-nano/nano-CAT/issues/49:
diameter
(i.e. the lattice spacing) toNone
when calculating the ligand bulkiness.bulk_workflow()
recipe.