#include <ecp.h>

Public Attributes
double	screening_threshold {1e-20}
	Primitive (pair, ECP term) contributions whose bound falls below this are skipped.

Member Data Documentation

◆ screening_threshold

double occ::ints::EcpEvaluator::Settings::screening_threshold {1e-20}

Primitive (pair, ECP term) contributions whose bound falls below this are skipped.

Kept far below any target so the screening introduces no visible steps in finite differences.

The documentation for this struct was generated from the following file: