Psi4
psimrcc.h
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3  *
4  * Psi4: an open-source quantum chemistry software package
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27 
28 #ifndef _psi_src_bin_psimrcc_psimrcc_h_
29 #define _psi_src_bin_psimrcc_psimrcc_h_
30 
31 namespace psi{ namespace psimrcc{
32 
33 void run_psimrcc();
34 void transform_integrals();
35 void mrccsd(SharedWavefunction ref_wfn, Options &options);
36 void mrpt2(SharedWavefunction ref_wfn, Options &options);
37 void mrccsd_check();
38 void mp2_ccsd(SharedWavefunction ref_wfn, Options &options);
39 
40 }} /* End Namespaces */
41 
42 #endif // _psi_src_bin_psimrcc_psimrcc_h_
PsiReturnType psimrcc(SharedWavefunction, Options &)
Definition: psimrcc/main.cc:86
void mp2_ccsd(SharedWavefunction ref_wfn, Options &options)
Definition: psimrcc.cc:89
void run_psimrcc()
void transform_integrals()
Definition: psimrcc.cc:126
void mrccsd_check()
void mrpt2(SharedWavefunction ref_wfn, Options &options)
Definition: psimrcc.cc:105
void mrccsd(SharedWavefunction ref_wfn, Options &options)
Definition: psimrcc.cc:57
std::shared_ptr< Wavefunction > SharedWavefunction
Definition: typedefs.h:50