pytc.kmat.contract_K1_isdf¶

pytc.kmat.contract_K1_isdf(phi_piv, grad_phi_piv, U1, ranges=None, rank_block_size=None, gpu_max_memory_mb=None)[source]¶

Contract K1 using ISDF decomposition.

Parameters:

rank_block_size – Override for the ISDF rank scan block size. If None, an adaptive size is computed based on the orbital slice dimensions and available GPU memory.
gpu_max_memory_mb – GPU memory budget for adaptive block sizing.