pytc.df.pivotsΒΆ

Streaming exact-column pivot selection for molecular ISDF.

The selector in this module deliberately owns no dense grid-by-grid matrix. It consumes an exact metric diagonal and a callable that evaluates requested columns. Molecular ISDF backs that interface with already-resident weighted orbital factors; periodic ISDF has a separate implementation and a streamed AO provider, but uses the same batch controls and schedule.

Functions

_blocked_round

_diverse_local_pivots

Select an exact greedy subset from a stale-diagonal candidate pool.

_sequential_round

grad_columns

Exact requested columns of the weighted density-gradient metric.

grad_diagonal

Diagonal of the weighted molecular density-gradient metric.

phi_columns

Exact requested columns of the weighted molecular density metric.

phi_diagonal

Diagonal of K_rs = (phi[:, r]^T phi[:, s])**2.

pivoted_cholesky_streaming

Select pivots from an exact diagonal and exact batched-column oracle.

validate_pivot_controls