OCaml Design Frames/Elementary Function Prototype Domain

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Domain Name[edit]

  • Prototypeset

to be continued by ~~

Description[edit]

the Domain where Elementary Function Prototypes are defined

Purpose[edit]

OCaml Design steps[edit]

Label type[edit]

  • it is a ...

Container type[edit]

  • to calculate its value, it needs ... to

Value type[edit]

  • its value is ...

Is a kind of[edit]

Notations[edit]

Linked Obsolete Documents[edit]

  {[          Characteristic           Composition                                           OCaml Label Type
   Pack    <-> c ( Center )            loop on all n of basisset of c                        Basisfunction_body_set_centered_c_indexed
   Cluster <-> n ( Shell Ordinal )     loop on all l of with l = 0,.., n-1 in basisset of c  Basisfunction_body_set_centered_l_indexed
   Bundle  <-> n,l ( Shell Name )      loop on all m : -l to +l                              basisfunction_body_set_centered_m_indexed
   Single  <-> l,m ( Quantum Numbers ) loop on all expanded_xfp of basisset of c,l,n         basisfunction_body_set_centered_full
   ]}

Examples[edit]

Cc_pvtz for F (Fluorine)

F     0 
S     5     1.00 
         20450.4890000              0.51103495E-03   
          3066.9547000              0.39518820E-02   
           697.9100300              0.20334553E-01   
           197.2702000              0.79876480E-01   
            63.7283430              0.23775601       
S     1     1.00 
            22.3218090              1.0000000        
S     1     1.00 
             8.1557609              1.0000000        
S     1     1.00 
             2.2114295              1.0000000        
S     1     1.00 
             0.89038567             1.0000000        
S     1     1.00 
             0.30696604             1.0000000        
P     4     1.00 
            80.2180200              0.63744464E-02   
            18.5872810              0.44360191E-01   
             5.6844581              0.16880038       
             1.9512781              0.36162979       
P     1     1.00 
             0.67024114             1.0000000        
P     1     1.00 
             0.21682252             1.0000000        

Comments[edit]

?

PNG Diagrams[edit]

UML diagram[edit]

Bibliography[edit]

Properties[edit]

Related Entities[edit]

Functionnalities[edit]

Qualities[edit]

Critics[edit]

Example[edit]

Tests[edit]

in local unitary_tests/

Links[edit]

Frames files[edit]

First Version[edit]

  • by ~~~~

OCaml Version[edit]

  • by ~~~~

created by {{subst:NODP}}


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