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Add atomic overlap interface + host implementation #81

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Adds interface + host implementation, closes #53.

@wavefunction91 wavefunction91 changed the base branch from master to issue_60/unify_rks_uks October 25, 2023 22:21
Base automatically changed from issue_60/unify_rks_uks to master October 27, 2023 22:34
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Evaluation of atomic overlap matrices
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