#include <obint.h>
Inheritance diagram for 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_ |