feat: Add test for solid harmonic moment translation (#159)#276
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tutou2356 wants to merge 2 commits intotheochem:masterfrom
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feat: Add test for solid harmonic moment translation (#159)#276tutou2356 wants to merge 2 commits intotheochem:masterfrom
tutou2356 wants to merge 2 commits intotheochem:masterfrom
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src/grid/tests/test_molgrid.py:78
- [nitpick] Consider renaming the variable 'l_check' (used for recalculating 'l' in get_lm_from_horton_index) to a more descriptive name, such as 'corrected_l', to improve code clarity.
l_check = 0
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Hi! @PaulWAyers @marco-2023 @Ali-Tehrani I’ve addressed the feedback from Copilot AI by renaming l_check to corrected_l for better clarity. The updated code has been pushed, and all tests still pass. Please let me know if there’s anything else to address! Thanks! |
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Adds a unit test (
test_multipole_translation) to verify that solid harmonic moments calculated byGrid.momentsbehave correctly under origin translation, as required by issue #159. The test compares numerical results against the analytical formula and passe.