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# sc::DerivCenters Class Reference

DerivCenters keeps track the centers that derivatives are taken with respect to. More...

`#include <dercent.h>`

List of all members.

## Public Methods

| DerivCenters ()
| These are used by the Integral specializations to initializes the DerivCenters structure.
void | clear ()
| Clear the list of centers.
void | add_center (int center, const Ref< GaussianBasisSet > &, int shell)
| Add a center for which derivatives will be computed.
void | add_omitted (int center, const Ref< GaussianBasisSet > &, int shell)
| Add a center for which derivatives will not be computed.
void | add_center (int center, int atom)
| Add a center for which derivatives will be computed.
void | add_omitted (int center, int atom)
| Add a center for which derivatives will not be computed.
int | n () const
| The number of unique centers minus one.
int | center (int i) const
| The center number.
int | atom (int i) const
| The atom number.
int | omitted_center () const
| The center that is omitted from the integral buffer.
int | has_omitted_center () const
| Returns 1 if there is an omitted center.
int | omitted_atom () const
| The atom that is omitted from the integral buffer.

## Detailed Description

DerivCenters keeps track the centers that derivatives are taken with respect to.

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

- dercent.h