Closed pseewald closed 6 years ago
To be able to specify the "fitting" center (center 1) max am separately (to reduce compilation time) since 6ae6d8bbc722db31053a53d5c5201c7a8bd78d5f max L on centers 2 and 3 are set to the values given by --with-max-am
, and max L on center 1 is set by --with-eri3-max-am
. See https://github.com/evaleev/libint/blame/master/src/bin/libint/build_libint.cc#L641
So the sizes are correct.
When I configure libint as
the generated build eri function pointers are declared as follows (in
libint2_iface.h
):If I'm not wrong all dimensions of
libint2_build_3eri
should be 4.