# sc::OneBodyDerivInt Class Reference

OneBodyDerivInt is an abstract base class for objects that compute one body derivative integrals. More...

`#include <obint.h>`

Inheritance diagram for sc::OneBodyDerivInt:

List of all members.

## Public Member Functions

| OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet > &b)
| OneBodyDerivInt (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2)
int | nbasis () const
| Return the number of basis functions on center one.
int | nbasis1 () const
| Return the number of basis functions on the center one.
int | nbasis2 () const
| Return the number of basis functions on the center two.
int | nshell () const
| Return the number of shells on center one.
int | nshell1 () const
| Return the number of shells on center one.
int | nshell2 () const
| Return the number of shells on center two.
Ref< GaussianBasisSet > | basis ()
| Return the basis set on center one.
Ref< GaussianBasisSet > | basis1 ()
| Return the basis set on center one.
Ref< GaussianBasisSet > | basis2 ()
| Return the basis set on center two.
const double * | buffer () const
| The computed shell integrals will be put in the buffer returned by this member.
virtual void | compute_shell (int ish, int jsh, DerivCenters &)=0
| Compute the derivative integrals and place the result in the buffer returned by buffer().
virtual void | compute_shell (int ish, int jsh, 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
Ref< GaussianBasisSet > | bs2
double * | buffer_

## Detailed Description

OneBodyDerivInt is an abstract base class for objects that compute one body derivative integrals.

## Member Function Documentation

const double* sc::OneBodyDerivInt::buffer | ( |  | ) | const

The computed shell integrals will be put in the buffer returned by this member.

virtual void sc::OneBodyDerivInt::compute_shell | ( | int | ish,
|  | int | jsh,
|  | DerivCenters & |
| ) |  | `[pure virtual]`

Compute the derivative integrals and place the result in the buffer returned by buffer().

Implemented in sc::OneBodyDerivIntCCA, and sc::OneBodyDerivIntV3.

virtual void sc::OneBodyDerivInt::compute_shell | ( | int | ish,
|  | int | jsh,
|  | int | center
| ) |  | `[pure virtual]`

Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().

Implemented in sc::OneBodyDerivIntCCA, and sc::OneBodyDerivIntV3.

The documentation for this class was generated from the following file:

- obint.h