#include <obint.h>
Inheritance diagram for sc::OneBodyInt:
Public Methods | |
virtual | ~OneBodyInt () |
int | nbasis () const |
Returns the number of basis functions on center one. | |
int | nshell () const |
Return the number of shells on center one. | |
Ref< GaussianBasisSet > | basis () |
Return the basis set on center one. | |
const double * | buffer () const |
Returns the buffer where the integrals are placed. | |
virtual void | compute_shell (int, int)=0 |
Computes the integrals between basis functions in the given shell pair. | |
virtual void | reinitialize () |
This is called for one body integrals that take data to let them know that the data they reference has changed. | |
Integral * | integral () const |
int | nbasis1 () const |
int | nbasis2 () const |
int | nshell1 () const |
int | nshell2 () const |
Ref< GaussianBasisSet > | basis1 () |
Ref< GaussianBasisSet > | basis2 () |
Protected Methods | |
OneBodyInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0) | |
Protected Attributes | |
Integral * | integral_ |
Ref< GaussianBasisSet > | bs1_ |
Ref< GaussianBasisSet > | bs2_ |
double * | buffer_ |