NAME

       sc::PointInputData - Contains data needed at each point by a DenFunctional.

SYNOPSIS

       #include <functional.h>

   Classes
       struct SpinData

   Public Types
       enum { X =BatchElectronDensity::X, Y =BatchElectronDensity::Y, Z =BatchElectronDensity::Z
           }
       enum { XX =BatchElectronDensity::XX, YX =BatchElectronDensity::YX, YY
           =BatchElectronDensity::YY, ZX =BatchElectronDensity::ZX, ZY =BatchElectronDensity::ZY,
           ZZ =BatchElectronDensity::ZZ }

   Public Member Functions
       void compute_derived (int spin_polarized, int need_gradient, int need_hessian)
       PointInputData (const SCVector3 &r_)

   Public Attributes
       SpinData a
       SpinData b
       double gamma_ab
       const SCVector3 & r

Detailed Description

       Contains data needed at each point by a DenFunctional.

Author

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