28 #ifndef _chemistry_qc_intcca_intcca_h 29 #define _chemistry_qc_intcca_intcca_h 32 #include <chemistry/qc/basis/integral.h> 33 #include <Chemistry_QC_GaussianBasis_IntegralEvaluatorFactory.hh> 34 #include <Chemistry_Chemistry_Molecule.hh> 35 #include <chemistry/molecule/molecule.h> 36 #include <chemistry/qc/basis/transform.h> 37 #include <chemistry/qc/basis/cartiter.h> 48 gov::cca::ComponentID fac_id_;
49 gov::cca::ConnectionID fac_con_;
51 Chemistry::Chemistry_Molecule molecule_;
52 std::string factory_type_;
58 void free_transforms();
59 void initialize_transforms();
60 IntegralEvaluatorFactory eval_factory_;
65 IntegralCCA(IntegralEvaluatorFactory eval_factory,
bool use_opaque,
107 int inv=0,
int subl=-1);
IntegralCCA provides an SC client for CCA IntegralEvaluator components.
Definition: intcca.h:44
The Integral abstract class acts as a factory to provide objects that compute one and two electron in...
Definition: integral.h:58
Serializes objects that derive from SavableState.
Definition: stateout.h:61
RedundantCartesianIter objects loop through all possible combinations of a given number of axes...
Definition: cartiter.h:80
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integra...
Definition: cartiter.h:39
A template class that maintains references counts.
Definition: ref.h:332
Restores objects that derive from SavableState.
Definition: statein.h:70
Like RedundantCartesianIter, except a, b, and c are fixed to a given value.
Definition: cartiter.h:170