MPQC
3.0.0-alpha
|
Contains data needed at each point by a DenFunctional. More...
#include <chemistry/qc/dft/functional.h>
Classes | |
struct | SpinData |
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 |
Contains data needed at each point by a DenFunctional.