MPQC 2.3.1

- Main Page
- Related Pages
- Classes
- Files

- Class List
- Class Hierarchy
- Class Members

Public Member Functions
sc::OneBodyIntCints Class Reference

This implements most one body integrals in the Cints library. More...

`#include <obintcints.h>`

Inheritance diagram for sc::OneBodyIntCints:

List of all members.

## Public Member Functions

| OneBodyIntCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)
void | set_multipole_origin (const Ref< DipoleData > &)
void | set_EdotV_origin (const Ref< EfieldDotVectorData > &)
void | set_Q_origin (const Ref< PointChargeData > &)
void | compute_shell (int, int)
| Computes the integrals between basis functions in the given shell pair.
bool | cloneable ()
| Return true if the clone member can be called.
Ref< OneBodyInt > | clone ()
| Returns a clone of this.

## Detailed Description

This implements most one body integrals in the Cints library.

It is given a function pointer to the Int1e member that computes the particular integral of interest.

## Member Function Documentation

Ref<OneBodyInt> sc::OneBodyIntCints::clone | ( |  | ) | `[virtual]`

Returns a clone of this.

The default implementation throws an exception.

Reimplemented from sc::OneBodyInt.

bool sc::OneBodyIntCints::cloneable | ( |  | ) | `[virtual]`

Return true if the clone member can be called.

The default implementation returns false.

Reimplemented from sc::OneBodyInt.

void sc::OneBodyIntCints::compute_shell | ( | int | ,
|  | int |
| ) |  | `[virtual]`

Computes the integrals between basis functions in the given shell pair.

Implements sc::OneBodyInt.

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

- obintcints.h