#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