pytc.xtcΒΆ

JAX implementation of X transcorrelated methods.

Functions

_accum_issue_stage

Add dt seconds to name if a pipeline stats scope is active.

_chunk_selector

Convert a contiguous subrange of indices into a slice when possible.

_contract_tucker_x_residual

Contract an orbital-leg Tucker X core without reconstructing X.

_estimate_delta_u_contraction_bytes

Estimate device memory for the legacy scan-based Delta U kernel.

_estimate_delta_u_direct_tile_bytes

Estimate device memory for the balanced direct Delta U tile kernel.

_get_tucker_x_factors

Return a validated (U, Z) Tucker-X representation, if present.

_read_X_slice

Read X[slice_r, slice_s], reusing a host-side cache when possible.

_slice_key

Hashable representation of a slice or index array.

_tucker_x_normal_order_intermediates

Return the X intermediates used by reference normal ordering.

compute_2b_tile

Execute one XTC 2-body tile using the internal tile API only.

invalidate_X_cache

Explicitly free the cached X slice (e.g., at end of CCSD iteration).

issue_stage_stats_scope

Establish a per-pipeline accumulator for _accum_issue_stage.