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GEMD Python PR

Description

Please briefly explain the goal of the changes/this PR. The reviewer should be able to understand why the change is being made by reading this description and its links (e.g. JIRA tickets).

PR Type:

  • Breaking change (fix or feature that would cause existing functionality to change)
  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Maintenance (non-breaking change to assist developers)

Adherence to team decisions

  • I have added tests for 100% coverage
  • I have written Numpy-style docstrings for every method and class.
  • I have communicated the downstream consequences of the PR to others.
  • I have bumped the version in __version__.py