- Implemented Locality Sensitive Hashing algorithm to speed up uniquify in LER construction.
0.0.4
- Refactored the LAMMPS read/write routines for dump files. - Refactored the atom selection routines for GBs. - Refactored the SOAP matrix calculation for GBs. - Unit test coverage up to 100%.
0.0.3
- 100% unit test coverage for the `decomposition.py` module.