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sc::TwoBodyIntV3 Class ReferenceThis implements electron repulsion integrals in the IntV3 library.
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#include <tbintv3.h>
Inheritance diagram for sc::TwoBodyIntV3:
[legend]Collaboration diagram for sc::TwoBodyIntV3:
[legend]List of all members.
Public Methods |
| TwoBodyIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage) |
| ~TwoBodyIntV3 () |
int | log2_shell_bound (int, int, int, int) |
| Return log base 2 of the maximum magnitude of any integral in a shell block. More...
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void | compute_shell (int, int, int, int) |
| Given for shell indices, this will cause the integral buffer to be filled in.
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size_t | storage_used () |
void | set_integral_storage (size_t storage) |
| This storage is used to cache computed integrals.
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Protected Attributes |
Ref< Int2eV3 > | int2ev3_ |
Detailed Description
This implements electron repulsion integrals in the IntV3 library.
Member Function Documentation
int sc::TwoBodyIntV3::log2_shell_bound |
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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::TwoBodyInt. |
The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:17:18 2003 for MPQC
2.1.3 using the documentation package Doxygen
1.2.14.
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