logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

sc::OneBodyOneCenterInt - OneBodyOneCenterInt is an abstract base class for objects that compute

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                       sc::OneBodyOneCenterInt(3)

Detailed Description

OneBodyOneCenterInt is an abstract base class for objects that compute integrals between two basis
       functions.

Member Function Documentation

virtualRef<OneBodyOneCenterInt>sc::OneBodyOneCenterInt::clone()[virtual]
       Returns a clone of this. The default implementation throws an exception.

   virtualboolsc::OneBodyOneCenterInt::cloneable()[virtual]
       Return true if the clone member can be called. The default implementation returns false.

Name

       sc::OneBodyOneCenterInt - OneBodyOneCenterInt is an abstract base class for objects that compute
       integrals between two basis functions.

Synopsis

       #include <obint.h>

       Inherits sc::RefCount.

       Inherited by sc::OneBodyOneCenterWrapper.

   PublicMemberFunctions
       int nbasis () const
           Returns the number of basis functions on center one.
       int nbasis1 () const
           Returns the number of basis functions on the center one.
       int nshell () const
           Return the number of shells on center one.
       int nshell1 () const
           Return the number of shells on the center one.
       Ref< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           Return the basis set on the center one.
       const double * buffer () const
           Returns the buffer where the integrals are placed.
       virtual void compute_shell (int)=0
           Computes the integrals for basis functions on the given shell.
       virtual void reinitialize ()
           This is called for one body integrals that take data to let them know that the data they reference
           has changed.
       virtual bool cloneable ()
           Return true if the clone member can be called.
       virtual Ref< OneBodyOneCenterInt > clone ()
           Returns a clone of this.
       Integral * integral () const

   ProtectedMemberFunctionsOneBodyOneCenterInt (Integral *integral, const Ref< GaussianBasisSet > &b1)

   ProtectedAttributesIntegral * integral_Ref< GaussianBasisSet > bs1_
       double * buffer_

See Also