#include <obintv3.h>
Inheritance diagram for sc::OneBodyDerivIntV3:
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(). | |
Protected Types | |
typedef void(Int1eV3::*) | IntegralFunction (int, int, int, int) |
Protected Attributes | |
Ref< Int1eV3 > | int1ev3_ |
IntegralFunction | intfunc_ |
It is given a function pointer to the Int1eV3 member that computes the particular integral of interest.
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.