# sc_OneBodyOneCenterDerivInt man page

sc::OneBodyOneCenterDerivInt — **OneBodyOneCenterDerivInt** is an abstract base class for objects that compute one body derivative integrals on a single center.

## Synopsis

`#include <obint.h>`

Inherits **sc::RefCount**.

### Public Member Functions

OneBodyOneCenterDerivInt(Integral*, constRef<GaussianBasisSet> &b)

intnbasis() constReturn the number of basis functions on center one.

intnbasis1() constReturn the number of basis functions on center one.

intnshell() constReturn the number of shells on center one.

intnshell1() constReturn 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() constThe computed shell integrals will be put in the buffer returned by this member.

virtual voidcompute_shell(int ish,DerivCenters&)=0Computethe derivative integrals and place the result in the buffer returned bybuffer().

virtual voidcompute_shell(int ish, int center)=0Computethe derivative integrals with respect to the given center and place the result in the buffer returned bybuffer().

### Protected Attributes

Integral*integral_Ref<GaussianBasisSet>bs1

double *buffer_

### Additional Inherited Members

## Detailed Description

**OneBodyOneCenterDerivInt** is an abstract base class for objects that compute one body derivative integrals on a single center.

## Member Function Documentation

### const double* sc::OneBodyOneCenterDerivInt::buffer () const

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

### virtual void sc::OneBodyOneCenterDerivInt::compute_shell (int ish, DerivCenters &) [pure virtual]

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

### virtual void sc::OneBodyOneCenterDerivInt::compute_shell (int ish, int center) [pure virtual]

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

## Author

Generated automatically by Doxygen for MPQC from the source code.

## Info

Fri May 6 2016 Version 2.3.1 MPQC