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sc::PointInputData(3)                MPQC                sc::PointInputData(3)

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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::PointInputData(3)

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