v1.7.1

Bugfixes/Changes:

• Fixed error where atom pairwise precalculations were done according to their symbol, causing atoms with the same symbol but different parameters would use the wrong parameters
  • Fixed by assigning each atom a unique identifier (UUID), which ensures all atoms are taken into account.

Removed:

• param_overrides.txt and functionality of overriding atom pairwise parameters
  • Due to the pairwise precalculation error described above, the atomic symbol by itself is not enough to distinguish atom pairs, and there currently is not a better descriptor available for users to describe these overrides.