PsiCC3_PT2R12 is a concrete implementation of the ground-state $\mathrm{CC3}-(2)_{\overline{R12}}$ method. More...

Inheritance diagram for sc::PsiCC3_PT2R12:

Public Member Functions
	PsiCC3_PT2R12 (const Ref< KeyVal > &)
	The KeyVal constructor uses keywords of PsiCC_PT2R12.
	PsiCC3_PT2R12 (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.
void	compute ()
	Recompute at least the results that have compute true and are not already computed.
void	print (std::ostream &o=ExEnv::out0()) const
	print

Detailed Description

PsiCC3_PT2R12 is a concrete implementation of the ground-state $\mathrm{CC3}-(2)_{\overline{R12}}$ method.

Member Function Documentation

void sc::PsiCC3_PT2R12::compute ( ) [virtual]

Recompute at least the results that have compute true and are not already computed.

This should only be called by Result's members.

void sc::PsiCC3_PT2R12::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::PsiCC_PT2R12.

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