13 #ifndef included_MPQC_GaussianBasis_Atomic_Impl_hh 14 #define included_MPQC_GaussianBasis_Atomic_Impl_hh 16 #ifndef included_sidl_cxx_hh 17 #include "sidl_cxx.hh" 19 #ifndef included_MPQC_GaussianBasis_Atomic_IOR_h 20 #include "MPQC_GaussianBasis_Atomic_IOR.h" 25 #ifndef included_Chemistry_QC_GaussianBasis_AngularType_hh 26 #include "Chemistry_QC_GaussianBasis_AngularType.hh" 28 #ifndef included_Chemistry_QC_GaussianBasis_Shell_hh 29 #include "Chemistry_QC_GaussianBasis_Shell.hh" 31 #ifndef included_MPQC_GaussianBasis_Atomic_hh 32 #include "MPQC_GaussianBasis_Atomic.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/basis/basis.h> 44 #include <MPQC_GaussianBasis_Shell.hh> 77 GaussianBasis_Atomic
self;
86 GaussianBasis_Shell *shell_array_;
87 AngularType angular_type_;
101 self(s,
true) { _ctor(); }
142 get_n_basis()
throw ()
150 get_n_shell()
throw ()
158 get_max_angular_momentum()
throw ()
165 ::Chemistry::QC::GaussianBasis::AngularType
166 get_angular_type()
throw ()
174 ::Chemistry::QC::GaussianBasis::Shell
186 print_atomic()
throw ()
The GaussianBasisSet class is used describe a basis set composed of atomic gaussian orbitals...
Definition: gaussbas.h:145
Symbol "MPQC.GaussianBasis_Atomic" (version 0.2)
Definition: MPQC_GaussianBasis_Atomic_Impl.hh:57