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core intf ManyBodyCalculator to ManyBodyCore #28

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loriab merged 3 commits into MolSSI:main from loriab:calculatorrename

May 31, 2024

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loriab commented May 31, 2024 •

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core: qcmb.manybody.ManyBodyCalculator --> qcmb.manybody.ManyBodyCore old way will still work and is in tests
core: should manybody.py be renamed core.py?
hi-lvl: now importable from top lvl from qcmanybody import ManyBodyComputer. field qcmb_calculator is now qcmb_core
adjusted docs and refreshed snippets from the paper

loriab added 3 commits

May 31, 2024 00:24


          move ManyBodyCalculator to ManyBodyCore

d4c9095


          fix up docs with Calc->Core and paper snippets

397681e


          move Core to core. make implicit deps explicit

9601fe0

loriab merged commit 6f3cebf into MolSSI:main

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loriab deleted the calculatorrename branch

May 31, 2024 14:57

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