---
name: "sc_OneBodyDerivInt"
section: "3"
platform: "linux"
package: "libsc-doc"
version: "2.3.1-22"
release: "Debian 12 (Bookworm)"
platforms: ["linux"]
url: "https://new.carta.tech/sc_OneBodyDerivInt"
---

# sc\_OneBodyDerivInt(3)

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

## NAME

sc::OneBodyDerivInt - **OneBodyDerivInt** is an abstract base class for objects that compute one body derivative integrals.

## SYNOPSIS

`#include <obint.h>`

Inherits **sc::RefCount**.

Inherited by **sc::OneBodyDerivIntCCA**, and **sc::OneBodyDerivIntV3**.

### 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\_**\

### Additional Inherited Members

## 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**.

## Author

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