sc_OneBodyDerivIntV33
This implements one body derivative integrals in the intv3 library.
Usage
#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().
Protected Types
typedef void(Int1eV3::* IntegralFunction) (int, int, int, int)
Protected Attributes
Ref< Int1eV3 > int1ev3_
IntegralFunction intfunc_
Additional Inherited Members
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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.