pub struct MoIntegrals { /* private fields */ }Expand description
Pre-computed MO-basis electron repulsion integrals.
Stores the full (pq|rs) tensor for indices in [0, n_mo).
Uses chemist notation: (pq|rs) = ∫∫ φ_p(1)φ_q(1) r₁₂⁻¹ φ_r(2)φ_s(2) d1 d2
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impl Freeze for MoIntegrals
impl RefUnwindSafe for MoIntegrals
impl Send for MoIntegrals
impl Sync for MoIntegrals
impl Unpin for MoIntegrals
impl UnsafeUnpin for MoIntegrals
impl UnwindSafe for MoIntegrals
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