Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
documentation:language_reference:functions:readfplobasisfunctions [2018/09/26 13:33]
Martin Brass
documentation:language_reference:functions:readfplobasisfunctions [2018/10/17 11:31] (current)
Martin Brass
Line 7: Line 7:
 ===== Input ===== ===== Input =====
  
-  * bla Integer +  * orbitals ​list of string 
-  * bla2 Real+  * file1 string 
 +  * file2 : string - optional - if given, relativistic wave functions are assumed where the large part is contained in file1 and the small part in file2
  
 ===== Output ===== ===== Output =====
  
-  * bla real+  * list of InterpolatingFunction ​large part of the wavefunctions if file2 is given, otherwise non-relativistic wave functions 
 +  * list of InterpolatingFunction : small part of the wavefunctions if file2 is given, otherwise NULL
  
 ===== Example ===== ===== Example =====
  
 ### ###
-description text+For non-relativistic wave functions the orbitals are labeled "​nl"​ where n is the principle quantum number and l is the letter corresponding to the angular momentum quantum number. For relativistic wave functions the orbitals are labeled "​nlj"​ where j is the total angular momentum quantum number.
 ### ###
  
 ==== Input ==== ==== Input ====
 <code Quanty Example.Quanty>​ <code Quanty Example.Quanty>​
--- some example code+orbs = {"​3s","​3p","​3d","​4d"​} 
 +f = ReadFPLOBasisFunctions(orbs,"​+fval.001.1"​) 
 + 
 +orbs = {"​3d3/​2","​3d5/​2"​} 
 +G, F = ReadFPLOBasisFunctions(orbs,"​+fval.001.1","​+fval.001.2"​)
 </​code>​ </​code>​
  
-==== Result ==== 
-<file Quanty_Output>​ 
-text produced as output 
-</​file>​ 
  
 ===== Table of contents ===== ===== Table of contents =====
 {{indexmenu>​.#​1}} {{indexmenu>​.#​1}}
  
Print/export