SearchFunctionals - Maple Help
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QuantumChemistry

  

SearchFunctionals

  

 search for a specific DFT functional or family of DFT functionals

  

 

Calling Sequence

Parameters

Description

Examples

Calling Sequence

SearchFunctionals(keyword)

Parameters

keyword

-

name (string) name or partial name of a functional

Description

• 

The SearchFunctionals searches all available DFT functionals for a specific functional or family of functionals with name or names containing the given keyword.

• 

The output is a list of available functionals containing the given keyword.

Examples

For example, we can search through all available DFT functionals for those containing the "LYP" keyword

(1)

See Also

Functionals

DensityFunctional

RDMFunctional

 

 

 


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