#include <obint.h>
Inheritance diagram for sc::OneBodyOneCenterInt:
Public Member Functions | |
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 |
Protected Member Functions | |
OneBodyOneCenterInt (Integral *integral, const Ref< GaussianBasisSet > &b1) | |
Protected Attributes | |
Integral * | integral_ |
Ref< GaussianBasisSet > | bs1_ |
double * | buffer_ |
virtual void sc::OneBodyOneCenterInt::compute_shell | ( | int | ) | [pure virtual] |
Computes the integrals for basis functions on the given shell.
virtual void sc::OneBodyOneCenterInt::reinitialize | ( | ) | [virtual] |
This is called for one body integrals that take data to let them know that the data they reference has changed.
virtual bool sc::OneBodyOneCenterInt::cloneable | ( | ) | [virtual] |
Return true if the clone member can be called.
The default implementation returns false.
virtual Ref<OneBodyOneCenterInt> sc::OneBodyOneCenterInt::clone | ( | ) | [virtual] |
Returns a clone of this.
The default implementation throws an exception.