Psi4
psimrcc.h
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3  *
4  * Psi4: an open-source quantum chemistry software package
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28 
29 #ifndef _psi_src_bin_psimrcc_psimrcc_h_
30 #define _psi_src_bin_psimrcc_psimrcc_h_
31 
32 namespace psi{ namespace psimrcc{
33 
34 void run_psimrcc();
35 void transform_integrals();
36 void mrccsd(SharedWavefunction ref_wfn, Options &options);
37 void mrpt2(SharedWavefunction ref_wfn, Options &options);
38 void mrccsd_check();
39 void mp2_ccsd(SharedWavefunction ref_wfn, Options &options);
40 
41 }} /* End Namespaces */
42 
43 #endif // _psi_src_bin_psimrcc_psimrcc_h_
PsiReturnType psimrcc(SharedWavefunction, Options &)
Definition: psimrcc/main.cc:87
void mp2_ccsd(SharedWavefunction ref_wfn, Options &options)
Definition: psimrcc.cc:90
void run_psimrcc()
void transform_integrals()
Definition: psimrcc.cc:127
void mrccsd_check()
void mrpt2(SharedWavefunction ref_wfn, Options &options)
Definition: psimrcc.cc:106
void mrccsd(SharedWavefunction ref_wfn, Options &options)
Definition: psimrcc.cc:58
std::shared_ptr< Wavefunction > SharedWavefunction
Definition: typedefs.h:52