more typedefs needed by SCF. (#157)

NWChemEx · Dec 19, 2024 · f90ec2f · f90ec2f
1 parent da247bc
commit f90ec2f
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Showing 2 changed files with 11 additions and 6 deletions.
diff --git a/include/simde/evaluate_braket/evaluate_braket.hpp b/include/simde/evaluate_braket/evaluate_braket.hpp
@@ -38,12 +38,14 @@ TEMPLATED_PROPERTY_TYPE_RESULTS(EvaluateBraKet, BraKetType) {
 
 #define EBK(bra, op, ket) EvaluateBraKet<type::braket<bra, op, ket>>
 
-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);
-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);
+using aos_op_base_aos = EBK(type::aos, type::op_base_type, 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_h_e_aos     = EBK(type::aos, type::core_hamiltonian, 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<typename OrbitalType>

diff --git a/include/simde/types.hpp b/include/simde/types.hpp
@@ -125,6 +125,9 @@ using rho_e = chemist::qm_operator::Density<OrbitalType, electron>;
 /// Pull in the Hamiltonian operator in case-consistent manner
 using hamiltonian = chemist::qm_operator::Hamiltonian;
 
+/// Pull in the CoreHamiltonian operator in case-consistent manner
+using core_hamiltonian = chemist::qm_operator::CoreHamiltonian;
+
 /// Pull in the Fock operator in case-consistent manner
 using fock = chemist::qm_operator::Fock;