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documentation:language_reference:functions:operatorsettrace [2018/09/26 13:00] – disclaimer 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 (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.+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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