sc_R12IntEval_abs_A3
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'.
Usage
Inherits sc::SavableState.
Public Member Functions
R12IntEval_abs_A (StateIn
&)
R12IntEval_abs_A (Ref<
R12IntEvalInfo
>
&)
void save_data_state
(StateOut
&)
void compute
(RefSCMatrix
&Vaa,
RefSCMatrix
&Xaa,
RefSCMatrix
&Baa,
RefSCMatrix
&Vab,
RefSCMatrix
&Xab,
RefSCMatrix
&Bab)
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.