Add MSD test to aid future development #67
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Added test_msd.py as a partial application test, to guarantee consistency of basic MSD calculation going forward.
arm61
approved these changes
Jul 26, 2024
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Added a known MSD calculation to tests. This should allow us to maintain consistency of basic MSD calculations through future development.
This branch also fixes einsum for NPT unwrapping and adds a new mdanalysis example (based on the new test case) to the docs.