# sc_OneBodyDerivIntV3 - Man Page

This implements one body derivative integrals in the IntV3 library.

## Synopsis

`#include <obintv3.h>`

Inherits **sc::OneBodyDerivInt**.

### Public Member Functions

**OneBodyDerivIntV3** (**Integral** *, const **Ref**< **GaussianBasisSet** > &, const **Ref**< **GaussianBasisSet** > &, IntegralFunction)

void **compute_shell** (int, int, **DerivCenters** &)**Compute** the derivative integrals and place the result in the buffer returned by **buffer()**.

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

Public Member Functions inherited from **sc::OneBodyDerivInt****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()**.

Public Member Functions inherited from **sc::RefCount**

int **lock_ptr** () const

Lock this object.

int **unlock_ptr** () const

Unlock this object.

void **use_locks** (bool inVal)

start and stop using locks on this object

refcount_t **nreference** () const

Return the reference count.

refcount_t **reference** ()

Increment the reference count and return the new count.

refcount_t **dereference** ()

Decrement the reference count and return the new count.

int **managed** () const

void **unmanage** ()

Turn off the reference counting mechanism for this object.

int **managed** () const

Return 1 if the object is managed. Otherwise return 0.

Public Member Functions inherited from **sc::Identity****Identifier identifier** ()

Return the **Identifier** for this argument.

### Protected Types

typedef void(Int1eV3::* **IntegralFunction**) (int, int, int, int)

### Protected Attributes

**Ref**< **Int1eV3** > **int1ev3_**

IntegralFunction **intfunc_**

Protected Attributes inherited from **sc::OneBodyDerivInt****Integral** * **integral_****Ref**< **GaussianBasisSet** > **bs1****Ref**< **GaussianBasisSet** > **bs2**

double * **buffer_**

### Additional Inherited Members

Protected Member Functions inherited from **sc::RefCount**

**RefCount** (const **RefCount** &)**RefCount** & **operator=** (const **RefCount** &)

## Detailed Description

This implements one body derivative integrals in the IntV3 library.

It is given a function pointer to the **Int1eV3** member that computes the particular integral of interest.

## Member Function Documentation

### void sc::OneBodyDerivIntV3::compute_shell (int ish, int jsh, DerivCenters &) [virtual]

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

Implements **sc::OneBodyDerivInt**.

### void sc::OneBodyDerivIntV3::compute_shell (int ish, int jsh, int center) [virtual]

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

Implements **sc::OneBodyDerivInt**.

## Author

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