fixing a bug that appears when n_pno is set manually and is smaller than the number of electron pairs. Example N2 with n_pno=3 (triple bond only). Maxrank was then set to zero. Prevent this from happening by forcing maxrank to be at least 1 when auto-assigned.
fixing a bug that appears when n_pno is set manually and is smaller than the number of electron pairs. Example N2 with n_pno=3 (triple bond only). Maxrank was then set to zero. Prevent this from happening by forcing maxrank to be at least 1 when auto-assigned.