pytc.xtc

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.
_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_device_free_bytes	Return currently free bytes for a specific local device when possible.
_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.
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.