Computes density fitting for |ij) density from fitting of |ji) DensityFitting. More...

Inheritance diagram for sc::PermutedDensityFitting:

Public Member Functions
	PermutedDensityFitting (const Ref< DensityFitting > &df21)
	compute density fitting for \|mo1 mo2) from \|mo1 ao2)
	PermutedDensityFitting (const Ref< MOIntsRuntime > &rtime, const std::string &kernel_key, SolveMethod solver, const Ref< OrbitalSpace > &space1, const Ref< OrbitalSpace > &space2, const Ref< GaussianBasisSet > &fitting_basis, const Ref< DistArray4 > &df21)
	compute density fitting for \|mo1 mo2) from \|mo1 ao2)
	PermutedDensityFitting (StateIn &)
void	save_data_state (StateOut &)
	Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

Detailed Description

Computes density fitting for |ij) density from fitting of |ji) DensityFitting.

Member Function Documentation

void sc::PermutedDensityFitting::save_data_state ( StateOut & ) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data.

Reimplemented from sc::DensityFitting.

The documentation for this class was generated from the following file: