#include <obint.h>
Inheritance diagram for OneBodyDerivInt:
Public Methods | |
OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet > &b) | |
OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2) | |
virtual | ~OneBodyDerivInt () |
int | nbasis () const |
Return 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 |
The computed shell integrals will be put in the buffer returned by this member. | |
int | nbasis1 () const |
int | nbasis2 () const |
int | nshell1 () const |
int | nshell2 () const |
Ref< GaussianBasisSet > | basis1 () |
Ref< GaussianBasisSet > | basis2 () |
virtual void | compute_shell (int ish, int jsh, DerivCenters &)=0 |
virtual void | compute_shell (int ish, int jsh, int center)=0 |
Protected Attributes | |
Integral * | integral_ |
Ref< GaussianBasisSet > | bs1 |
Ref< GaussianBasisSet > | bs2 |
double * | buffer_ |