13 #ifndef included_MPQC_Chemistry_QC_Model_Impl_hh
14 #define included_MPQC_Chemistry_QC_Model_Impl_hh
16 #ifndef included_sidl_cxx_hh
17 #include "sidl_cxx.hh"
19 #ifndef included_MPQC_Chemistry_QC_Model_IOR_h
20 #include "MPQC_Chemistry_QC_Model_IOR.h"
25 #ifndef included_Chemistry_Molecule_hh
26 #include "Chemistry_Molecule.hh"
28 #ifndef included_MPQC_Chemistry_QC_Model_hh
29 #include "MPQC_Chemistry_QC_Model.hh"
31 #ifndef included_sidl_BaseException_hh
32 #include "sidl_BaseException.hh"
34 #ifndef included_sidl_BaseInterface_hh
35 #include "sidl_BaseInterface.hh"
37 #ifndef included_sidl_ClassInfo_hh
38 #include "sidl_ClassInfo.hh"
43 #include <chemistry/qc/wfn/wfn.h>
44 #include "Chemistry_Chemistry_Molecule.hh"
72 Chemistry_QC_Model
self;
76 Chemistry::Chemistry_Molecule molecule_;
89 self(s,
true) { _ctor(); }
110 const ::std::string& keyword,
111 const ::std::string& input
121 const ::std::string& keyword,
122 const ::std::string& filename
132 const ::std::string& keyword,
133 const ::std::string& input,
155 ::Chemistry::Molecule molecule
164 ::Chemistry::Molecule
172 ::sidl::BaseException
214 ::sidl::array<double>
216 ::sidl::BaseException
243 ::sidl::array<double>
245 ::sidl::BaseException
271 ::sidl::array<double>
273 ::sidl::BaseException