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gblearn Revision History

Revision 0.3

  • Implemented Locality Sensitive Hashing algorithm to speed up uniquify in LER construction.

Revision 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%.

Revision 0.0.3

  • 100% unit test coverage for the decomposition.py module.