pytc.legacy.kmat

Functions

_get_safe_batch_size	Calculate safe batch size based on available memory.
calc_K1	Evaluate the integral <pq|∇u·∇|rs> over grid points using batched processing.
calc_K1_isdf	Directly evaluate <pq|∇u·∇|rs> using ISDF intermediates with batched processing.
calc_K2	Evaluate the integral <pq|∇²₁u(r₁,r₂)|rs> using batched processing.
calc_K2_isdf	Directly evaluate <pq|∇²₁u(r₁,r₂)|rs> using ISDF intermediates.
calc_K3	Evaluate the integral <pq|(∇₁u(r₁,r₂))²|rs> using batched processing.
calc_K3_isdf	Directly evaluate <pq|(∇₁u(r₁,r₂))²|rs> using ISDF intermediates with batched processing.