sc::TwoBodyDerivIntCCA Class Reference
This implements two body derivative integrals through the CCA interface. More...
#include <chemistry/cca/int/tbintcca.h>
Inheritance diagram for sc::TwoBodyDerivIntCCA:
Public Member Functions | |
| TwoBodyDerivIntCCA (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, Chemistry::QC::GaussianBasis::IntegralEvaluatorFactoryInterface, Chemistry::QC::GaussianBasis::CompositeDescrInterface) | |
| void | compute_shell (int, int, int, int, DerivCenters &) |
| Given for shell indices, this will cause the integral buffer to be filled in. | |
| int | log2_shell_bound (int, int, int, int) |
| Return log base 2 of the maximum magnitude of any integral in a shell block. | |
| int | redundant () const |
| void | set_redundant (int i) |
| unsigned int | num_tbint_types () const |
| void | copy_buffer (int) |
Detailed Description
This implements two body derivative integrals through the CCA interface.
Member Function Documentation
| void sc::TwoBodyDerivIntCCA::compute_shell | ( | int | , | |
| int | , | |||
| int | , | |||
| int | , | |||
| DerivCenters & | ||||
| ) | [virtual] |
Given for shell indices, this will cause the integral buffer to be filled in.
Implements sc::TwoBodyDerivInt.
| int sc::TwoBodyDerivIntCCA::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:
- src/lib/chemistry/cca/int/tbintcca.h