#include <obint.h>
Inheritance diagram for sc::OneBodyOneCenterDerivInt:
Public Member Functions | |
| OneBodyOneCenterDerivInt (Integral *, const Ref< GaussianBasisSet > &b) | |
| int | nbasis () const |
| Return the number of basis functions on center one. | |
| int | nbasis1 () const |
| Return the number of basis functions on center one. | |
| int | nshell () const |
| Return the number of shells on center one. | |
| int | nshell1 () const |
| Return the number of shells on center one. | |
| Ref< GaussianBasisSet > | basis () |
| Return the basis set on center one. | |
| Ref< GaussianBasisSet > | basis1 () |
| Return the basis set on center one. | |
| const double * | buffer () const |
| The computed shell integrals will be put in the buffer returned by this member. | |
| virtual void | compute_shell (int ish, DerivCenters &)=0 |
| Compute the derivative integrals and place the result in the buffer returned by buffer(). | |
| virtual void | compute_shell (int ish, int center)=0 |
| Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer(). | |
Protected Attributes | |
| Integral * | integral_ |
| Ref< GaussianBasisSet > | bs1 |
| double * | buffer_ |