21 #ifndef _libint2_src_bin_libint_onep11_h_ 22 #define _libint2_src_bin_libint_onep11_h_ 25 #include <integral_1_1.h> 34 GenIntegralSet_1_1<CGF,ElecPotOper,mType>::this_precomputed()
const 37 if (parent_type::bra_.member(0,0).zero() &&
38 parent_type::ket_.member(0,0).zero() &&
39 parent_type::bra_.member(0,0).contracted() ==
false &&
40 parent_type::ket_.member(0,0).contracted() ==
false &&
41 parent_type::bra_.member(0,0).deriv().zero() &&
42 parent_type::ket_.member(0,0).deriv().zero()
55 if (parent_type::bra_.member(0,0).zero() &&
56 parent_type::ket_.member(0,0).zero() &&
57 parent_type::bra_.member(0,0).contracted() ==
false &&
58 parent_type::ket_.member(0,0).contracted() ==
false &&
59 parent_type::bra_.member(0,0).deriv().zero() &&
60 parent_type::ket_.member(0,0).deriv().zero()
Defaults definitions for various parameters assumed by Libint.
Definition: algebra.cc:24
Generic integral over a one-body operator with one bfs for each particle in bra and ket.
Definition: integral_1_1.h:33