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SciCode / 10.11 / Write a Python function that calculates the energy of a periodic system using…

Problem

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Write a Python function that calculates the energy of a periodic system using Ewald summation given `latvec` of shape `(3, 3)`, `atom_charges` of shape `(natoms,)`, `atom_coords` of shape `(natoms, 3)`, and `configs` of shape `(nelectrons, 3)`. Add all the following contributions: `sum_real_cross` from , `sum_real_self` from , `sum_recip` from , and `sum_charge` from . use `gmax = 200` to generate `gpoints`

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Source and history

upstream_id / Original problem ID: 10.11
task_id: c590d5fb-8252-5162-86f8-5e2355071129
task_key: dev--69e335f0-d1ca-5a82-bab6-b343e9761c03--10~2e11
task_revision_id: 2
config / split: / dev

Official source

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