NAME
sc::R12IntEval_abs_A - Class R12IntEval_abs_A evaluates R12 intermediates for the auxiliary-basis part of the two-basis MP2-R12 theory in standard approximations A and A'.
SYNOPSIS
#include <vxb_eval_abs_a.h>
Inherits sc::SavableState.
Public Member Functions
R12IntEval_abs_A (StateIn &)
R12IntEval_abs_A (Ref< R12IntEvalInfo > &)
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 obsolete ()
void compute (RefSCMatrix &Vaa, RefSCMatrix &Xaa, RefSCMatrix &Baa, RefSCMatrix &Vab, RefSCMatrix &Xab, RefSCMatrix &Bab)
Ref< R12IntEvalInfo > r12info () const
Detailed Description
Class R12IntEval_abs_A evaluates R12 intermediates for the auxiliary-basis part of the two-basis MP2-R12 theory in standard approximations A and A'.
Member Function Documentation
void sc::R12IntEval_abs_A::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::SavableState.
Author
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