|
Main Page Class Hierarchy Compound List File List Compound Members Related Pages
sc::TwoBodyDerivIntV3 Class ReferenceThis implements electron repulsion derivative integrals in the IntV3 library.
More...
#include <tbintv3.h>
Inheritance diagram for sc::TwoBodyDerivIntV3:
[legend]Collaboration diagram for sc::TwoBodyDerivIntV3:
[legend]List of all members.
Public Methods |
| TwoBodyDerivIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage) |
| ~TwoBodyDerivIntV3 () |
int | log2_shell_bound (int, int, int, int) |
| Return log base 2 of the maximum magnitude of any integral in a shell block. More...
|
void | compute_shell (int, int, int, int, DerivCenters &) |
| Given for shell indices, this will cause the integral buffer to be filled in.
|
size_t | storage_used () |
Protected Attributes |
Ref< Int2eV3 > | int2ev3_ |
Detailed Description
This implements electron repulsion derivative integrals in the IntV3 library.
Member Function Documentation
int sc::TwoBodyDerivIntV3::log2_shell_bound |
( |
int |
, |
|
|
int |
, |
|
|
int |
, |
|
|
int |
|
|
) |
[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.
Implements sc::TwoBodyDerivInt. |
The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:17:15 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
|