32 #ifndef _chemistry_qc_mbptr12_mp2r12energy_h
33 #define _chemistry_qc_mbptr12_mp2r12energy_h
35 #include <util/ref/ref.h>
36 #include <chemistry/qc/mbptr12/linearr12.h>
38 #include <chemistry/qc/mbptr12/r12int_eval.h>
39 #include <chemistry/qc/mbptr12/twobodygrid.h>
48 LinearR12::StandardApproximation stdapprox_;
53 RefSCVector er12_aa_, er12_ab_, emp2r12_aa_, emp2r12_ab_;
57 double emp2tot_aa_()
const;
58 double emp2tot_ab_()
const;
81 void print_pair_energies(
bool spinadapted, std::ostream&so=
ExEnv::out0());
84 LinearR12::StandardApproximation stdapp()
const;
91 void set_debug(
int debug);
92 int get_debug()
const;