Psi4
moinfo_scf.h
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4  * Psi4: an open-source quantum chemistry software package
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27 
28 #ifndef _psi_src_lib_libmoinfo_moinfo_scf_h_
29 #define _psi_src_lib_libmoinfo_moinfo_scf_h_
30 
36 #include <string>
37 
39 #include "moinfo_base.h"
40 
41 namespace psi {
42 
43 class MOInfoSCF : public MOInfoBase {
44 public:
45  MOInfoSCF(Wavefunction& ref_wfn_, Options& options_, bool silent_ = false);
46  ~MOInfoSCF();
47 private:
48  void read_mo_spaces();
49  void print_mo();
50 };
51 
52 extern MOInfoSCF *moinfo_scf;
53 
54 }
55 
56 #endif // _psi_src_lib_libmoinfo_moinfo_scf_h_
Definition: moinfo_base.h:53
~MOInfoSCF()
Definition: moinfo_scf.cc:79
void print_mo()
Definition: moinfo_scf.cc:133
This class stores all the basic info regarding MOs.
MOInfoSCF(Wavefunction &ref_wfn_, Options &options_, bool silent_=false)
Definition: moinfo_scf.cc:46
void read_mo_spaces()
Definition: moinfo_scf.cc:83
Definition: liboptions.h:359
MOInfoSCF * moinfo_scf
Definition: mcscf.cc:58
Simple wavefunction base class.
Definition: wavefunction.h:85
Definition: moinfo_scf.h:43