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

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                            sc::PointInputData(3)

Detailed Description

       Contains data needed at each point by a DenFunctional.

Name

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

Synopsis

       #include <functional.h>

   Classes
       struct SpinDataPublicTypes
       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 }

   PublicMemberFunctions
       void compute_derived (int spin_polarized, int need_gradient, int need_hessian)
       PointInputData (const SCVector3 &r_)

   PublicAttributesSpinDataaSpinDatab
       double gamma_ab
       const SCVector3 & r

See Also