13 #ifndef included_MPQC_GaussianBasis_Shell_Impl_hh 14 #define included_MPQC_GaussianBasis_Shell_Impl_hh 16 #ifndef included_sidl_cxx_hh 17 #include "sidl_cxx.hh" 19 #ifndef included_MPQC_GaussianBasis_Shell_IOR_h 20 #include "MPQC_GaussianBasis_Shell_IOR.h" 25 #ifndef included_Chemistry_QC_GaussianBasis_AngularType_hh 26 #include "Chemistry_QC_GaussianBasis_AngularType.hh" 28 #ifndef included_MPQC_GaussianBasis_Shell_hh 29 #include "MPQC_GaussianBasis_Shell.hh" 31 #ifndef included_sidl_BaseInterface_hh 32 #include "sidl_BaseInterface.hh" 34 #ifndef included_sidl_ClassInfo_hh 35 #include "sidl_ClassInfo.hh" 40 #include <chemistry/qc/basis/basis.h> 71 GaussianBasis_Shell
self;
77 AngularType angular_type_;
92 self(s,
true) { _ctor(); }
124 get_n_contraction()
throw ()
132 get_n_primitive()
throw ()
142 get_contraction_coef (
169 get_angular_momentum (
181 get_max_angular_momentum()
throw ()
189 ::Chemistry::QC::GaussianBasis::AngularType
190 get_contraction_angular_type (
201 ::Chemistry::QC::GaussianBasis::AngularType
202 get_angular_type()
throw ()
209 print_shell()
throw ()
A Gaussian orbital shell.
Definition: gaussshell.h:47
Symbol "MPQC.GaussianBasis_Shell" (version 0.2)
Definition: MPQC_GaussianBasis_Shell_Impl.hh:51