sc_TwoBodyThreeCenterDerivInt3
This is an abstract base type for classes that compute three centers integrals involving two electrons.
Usage
Inherits sc::RefCount.
Public Member Functions
int nbasis
()
const
Protected Member Functions
TwoBodyThreeCenterDerivInt (Integral
*integral,
const
Ref<
GaussianBasisSet
>
&b1,
const
Ref<
GaussianBasisSet
>
&b2,
const
Ref<
GaussianBasisSet
>
&b3)
Protected Attributes
Integral *
integral_
double *
buffer_
Detailed Description
This is an abstract base type for classes that compute three centers integrals involving two electrons.
Member Function Documentation
virtual int sc::TwoBodyThreeCenterDerivInt::log2_shell_bound (int = -1, int = -1, int = -1) [pure virtual]
Return log base 2 of the maximum magnitude of any integral in a shell block. An index of -1 for any argument indicates any shell.
History
- Debian 12 (Bookworm): the text shown here
- Debian 11 (Bullseye)
- Debian 6.0 (Squeeze)
- Debian 5.0 (Lenny)
- Debian 4.0 (Etch)