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documentation:language_reference:functions:operatorsettrace [2018/09/26 11:50] – Filled with content Simon Heinzedocumentation:language_reference:functions:operatorsettrace [2018/09/26 14:40] – Added Code Example and corrected some statements Simon Heinze
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 ### ###
-OperatorSetTrace($O$, $t$, {$i_1,...,i_n$}) takes an Operator $O$, an optional real value $t$ for the trace and an optional list {$i_1,...,i_n$} of included orbitals, and sets the trace of these orbitals to $t$. It furthermore sets any scalar offset of the operator to 0. If no list of indices is given the function includes all orbitals up to the number of fermionic states, and if no value $t$ is given the trace is set to 0.+OperatorSetTrace($O$, $t$, {$i_1,...,i_n$}) takes an Operator $O$, an optional real value $t$ for the trace average and an optional list {$i_1,...,i_n$} of included orbitals, and sets the trace of these orbitals to $t$ times the number of orbitals. It furthermore sets any scalar offset of the operator to 0 (or rather will, with the next update). If no list of indices is given the function includes all orbitals up to the number of fermionic states, and if no value $t$ is given the trace is set to 0.
  
 After the operation the operator has the property After the operation the operator has the property
 \begin{equation*} \begin{equation*}
 \sum_{j=\{i_1,...,i_n\}} \sum_{j=\{i_1,...,i_n\}}
-O_{jj}+\frac{O_{jj}}{n}
 = =
 t t
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   * $O$ : Operator   * $O$ : Operator
-  * $t$ : New value of the trace (Default 0)+  * $t$ : New value of the trace average (Default 0)
   * {$i_1,...,i_n$} : List of indices (Default {$0,...,N_{Fermi}-1$})   * {$i_1,...,i_n$} : List of indices (Default {$0,...,N_{Fermi}-1$})
  
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 ===== Example ===== ===== Example =====
  
-### 
-Give me just a minute. 
-### 
  
 ==== Input ==== ==== Input ====
 <code Quanty Example.Quanty> <code Quanty Example.Quanty>
--- some example code+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") 
 +OperatorSetTrace(O) 
 +print(O) 
 + 
 +print("Set Operator trace average to 2") 
 +OperatorSetTrace(O,2) 
 +print(O) 
 + 
 +print("Set trace average of 1s orbitals to -1, and trace average of 2s orbitals to 15") 
 +OperatorSetTrace(O,-1,Indices["1s"]) 
 +OperatorSetTrace(O,15,Indices["2s"]) 
 +print(O)
 </code> </code>
  
 ==== Result ==== ==== Result ====
 <file Quanty_Output> <file Quanty_Output>
-text produced as output+Operator: Operator 
 +QComplex         =          0 (Real==0 or Complex==1 or Mixed==2) 
 +MaxLength        =          4 (largest number of product of lader operators) 
 +NFermionic modes =          4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) 
 +NBosonic modes   =          0 (Number of bosonic modes (phonon modes, ...) in the one particle basis) 
 + 
 +Operator of Length   2 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          4 (number of operators of length   2) 
 +C  0 A  0 |  1.000000000000000E+00 
 +C  1 A  1 |  1.000000000000000E+00 
 +C  2 A  2 |  2.000000000000000E+00 
 +C  3 A  3 |  2.000000000000000E+00 
 + 
 +Operator of Length   4 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          2 (number of operators of length   4) 
 +C  1 C  0 A  1 A  0 | -5.000000000000000E-01 
 +C  3 C  2 A  3 A  2 | -5.000000000000000E-01 
 + 
 + 
 +Set Operator trace average to 0 
 + 
 +Operator: Operator 
 +QComplex         =          0 (Real==0 or Complex==1 or Mixed==2) 
 +MaxLength        =          4 (largest number of product of lader operators) 
 +NFermionic modes =          4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) 
 +NBosonic modes   =          0 (Number of bosonic modes (phonon modes, ...) in the one particle basis) 
 + 
 +Operator of Length   2 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          4 (number of operators of length   2) 
 +C  0 A  0 | -5.000000000000000E-01 
 +C  1 A  1 | -5.000000000000000E-01 
 +C  2 A  2 |  5.000000000000000E-01 
 +C  3 A  3 |  5.000000000000000E-01 
 + 
 +Operator of Length   4 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          2 (number of operators of length   4) 
 +C  1 C  0 A  1 A  0 | -5.000000000000000E-01 
 +C  3 C  2 A  3 A  2 | -5.000000000000000E-01 
 + 
 + 
 +Set Operator trace average to 2 
 + 
 +Operator: Operator 
 +QComplex         =          0 (Real==0 or Complex==1 or Mixed==2) 
 +MaxLength        =          4 (largest number of product of lader operators) 
 +NFermionic modes =          4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) 
 +NBosonic modes   =          0 (Number of bosonic modes (phonon modes, ...) in the one particle basis) 
 + 
 +Operator of Length   2 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          4 (number of operators of length   2) 
 +C  0 A  0 |  1.500000000000000E+00 
 +C  1 A  1 |  1.500000000000000E+00 
 +C  2 A  2 |  2.500000000000000E+00 
 +C  3 A  3 |  2.500000000000000E+00 
 + 
 +Operator of Length   4 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          2 (number of operators of length   4) 
 +C  1 C  0 A  1 A  0 | -5.000000000000000E-01 
 +C  3 C  2 A  3 A  2 | -5.000000000000000E-01 
 + 
 + 
 +Set trace average of 1s orbitals to -1, and trace average of 2s orbitals to 15 
 + 
 +Operator: Operator 
 +QComplex         =          0 (Real==0 or Complex==1 or Mixed==2) 
 +MaxLength        =          4 (largest number of product of lader operators) 
 +NFermionic modes =          4 (Number of fermionic modes (site, spin, orbital, ...) in the one particle basis) 
 +NBosonic modes   =          0 (Number of bosonic modes (phonon modes, ...) in the one particle basis) 
 + 
 +Operator of Length   2 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          4 (number of operators of length   2) 
 +C  0 A  0 | -1.000000000000000E+00 
 +C  1 A  1 | -1.000000000000000E+00 
 +C  2 A  2 |  1.500000000000000E+01 
 +C  3 A  3 |  1.500000000000000E+01 
 + 
 +Operator of Length   4 
 +QComplex      =          0 (Real==0 or Complex==1) 
 +N             =          2 (number of operators of length   4) 
 +C  1 C  0 A  1 A  0 | -5.000000000000000E-01 
 +C  3 C  2 A  3 A  2 | -5.000000000000000E-01 
 </file> </file>
  

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