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documentation:language_reference:functions:determinantstring [2018/06/21 15:16] – created Simon Heinzedocumentation:language_reference:functions:determinantstring [2025/11/20 03:29] (current) – external edit 127.0.0.1
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 ### ###
-alligned paragraph text+DeterminantString(//NF//,//Inds1//) creates a string of length //NF// and sets all characters to '0', except for those indices included in //Inds1// etc, which it sets to '1'. This automatizes the input of functions like //[[documentation:language_reference:functions:NewWavefunction|NewWavefunction()]]// or //[[documentation:language_reference:functions:Eigensystem|Eigensystem()]]//.
 ### ###
  
 ===== Input ===== ===== Input =====
  
-  * bla : Integer +  * //NF// : The number of fermionic states (and hence the length of the resulting string). 
-  * bla2 : Real+  * //Inds1//,... : One (release version) or several (upcoming versions) lists of indices.
  
 ===== Output ===== ===== Output =====
  
-  * bla : real+  * //Det// : A string that can be used as determinant input for wavefunctions, restrictions, or the like.
  
 ===== Example ===== ===== Example =====
  
 ### ###
-description text+A small example:
 ### ###
  
 ==== Input ==== ==== Input ====
 <code Quanty Example.Quanty> <code Quanty Example.Quanty>
--- some example code+orbitals = {"H_1s","Fe_2s","Fe_2p","Fe_3s","Fe_3d"} 
 +groupings = { {"H_states", {"H_1s"} }, {"Fe_states", {"Fe_2s","Fe_2p","Fe_3s","Fe_3d"}} } 
 +Ind, NF = CreateAtomicIndicesDict(orbitals,groupings) 
 + 
 +print("\nDeterminantString({0,1,2,3},NF):" ) 
 +print(DeterminantString(NF, {0,1,2,3}) ) 
 +print("\nDeterminantString(NF, Ind[\"Fe_2p\"]):") 
 +print(DeterminantString(NF, Ind["Fe_2p"]) ) 
 +print("\nDeterminantString(NF, Ind[\"H_states\"]):") 
 +print(DeterminantString(NF, Ind["H_states"]) ) 
 +print("\nDeterminantString(NF, Ind[\"Fe_states\"]):") 
 +print(DeterminantString(NF, Ind["Fe_states"]) ) 
 +--Upcoming Version: 
 +print("\nDeterminantString(NF, Ind[\"H_1s\"], Ind[\"Fe_2p\"], Ind[\"Fe_3d\"]):" ) 
 +print(DeterminantString(NF, Ind["H_1s"], Ind["Fe_2p"], Ind["Fe_3d"]) ) 
 + 
 +psi = NewWavefunction(NF,0,{{DeterminantString(NF, Ind["Fe_3d"]) , 1}}) 
 +print(psi)
 </code> </code>
  
 ==== Result ==== ==== Result ====
 <file Quanty_Output> <file Quanty_Output>
-text produced as output+DeterminantString({0,1,2,3},NF): 
 +1111000000000000000000 
 + 
 +DeterminantString(NF, Ind["Fe_2p"]): 
 +0000111111000000000000 
 + 
 +DeterminantString(NF, Ind["H_states"]): 
 +1100000000000000000000 
 + 
 +DeterminantString(NF, Ind["Fe_states"]): 
 +0011111111111111111111 
 + 
 +DeterminantString(NF, Ind["H_1s"], Ind["Fe_2p"], Ind["Fe_3d"]): 
 +1100111111001111111111 
 + 
 +WaveFunction: Wave Function 
 +QComplex         =          0 (Real==0 or Complex==1) 
 +N                =          1 (Number of basis functions used to discribe psi) 
 +NFermionic modes =         22 (Number of fermions in the one particle basis) 
 +NBosonic modes   =          0 (Number of bosons in the one particle basis) 
 + 
 +#      pre-factor         Determinant 
 +   1   1.000000000000E+00       0000000000001111111111 
 </file> </file>
  

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