Orbitals = {"1s","2s"} Indices, NF = CreateAtomicIndicesDict(Orbitals) e1s = 1 e2s = 2 F0ss = 0.5 O = NewOperator("Number", NF, Indices["1s"], Indices["1s"],{e1s, e1s}) + NewOperator("Number", NF, Indices["2s"], Indices["2s"],{e2s, e2s}) + NewOperator("U", NF, Indices["1s_Up"], Indices["1s_Dn"],{F0ss}) + NewOperator("U", NF, Indices["2s_Up"], Indices["2s_Dn"],{F0ss}) O.Name = "Operator" print(O) print("Set Operator trace average to 0") OperatorSetOnsiteEnergy(O) print(O) print("Set Operator trace average to 2") OperatorSetOnsiteEnergy(O,2) print(O) print("Set trace average of 1s orbitals to -1, and trace average of 2s orbitals to 15") OperatorSetOnsiteEnergy(O,-1,Indices["1s"]) OperatorSetOnsiteEnergy(O,15,Indices["2s"]) print(O)