From 8694585a98feb6366f2fff3305aa6c01c6d6a110 Mon Sep 17 00:00:00 2001 From: "Ryan M. Richard" Date: Mon, 16 Dec 2024 10:19:52 -0600 Subject: [PATCH 1/2] adds some missing typedefs --- include/simde/evaluate_braket/evaluate_braket.hpp | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/include/simde/evaluate_braket/evaluate_braket.hpp b/include/simde/evaluate_braket/evaluate_braket.hpp index d8f84d5b..adb542c5 100644 --- a/include/simde/evaluate_braket/evaluate_braket.hpp +++ b/include/simde/evaluate_braket/evaluate_braket.hpp @@ -38,8 +38,12 @@ TEMPLATED_PROPERTY_TYPE_RESULTS(EvaluateBraKet, BraKetType) { #define EBK(bra, op, ket) EvaluateBraKet> +using aos_s_e_aos = EBK(type::aos, chemist::qm_operator::Identity, type::aos); using aos_t_e_aos = EBK(type::aos, type::t_e_type, type::aos); using aos_v_en_aos = EBK(type::aos, type::v_en_type, type::aos); +using aos_f_e_aos = EBK(type::aos, type::fock, type::aos); +using aos_j_e_aos = EBK(type::aos, type::j_e_type, type::aos); +using aos_k_e_aos = EBK(type::aos, type::k_e_type, type::aos); // One electron density templated on the representation of the density operator template From f88483115ebc8f8902bdef5fac102ecd6d2d06be Mon Sep 17 00:00:00 2001 From: Ryan Richard Date: Mon, 16 Dec 2024 11:28:43 -0600 Subject: [PATCH 2/2] Update evaluate_braket.hpp --- include/simde/evaluate_braket/evaluate_braket.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/include/simde/evaluate_braket/evaluate_braket.hpp b/include/simde/evaluate_braket/evaluate_braket.hpp index adb542c5..a178abc7 100644 --- a/include/simde/evaluate_braket/evaluate_braket.hpp +++ b/include/simde/evaluate_braket/evaluate_braket.hpp @@ -38,7 +38,7 @@ TEMPLATED_PROPERTY_TYPE_RESULTS(EvaluateBraKet, BraKetType) { #define EBK(bra, op, ket) EvaluateBraKet> -using aos_s_e_aos = EBK(type::aos, chemist::qm_operator::Identity, type::aos); +using aos_s_e_aos = EBK(type::aos, type::s_e_type, type::aos); using aos_t_e_aos = EBK(type::aos, type::t_e_type, type::aos); using aos_v_en_aos = EBK(type::aos, type::v_en_type, type::aos); using aos_f_e_aos = EBK(type::aos, type::fock, type::aos); @@ -58,4 +58,4 @@ using ESCF = EBK(type::determinant, type::hamiltonian, type::determinant); #undef EBK -} // namespace simde \ No newline at end of file +} // namespace simde