This implements two body derivative integrals through the CCA interface.
Definition tbintcca.h:70
int log2_shell_bound(int, int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block.
void compute_shell(int, int, int, int, DerivCenters &)
Given for shell indices, this will cause the integral buffer to be filled in.
This is an abstract base type for classes that compute integrals involving two electrons.
Definition tbint.h:422
This implements two body integrals through the CCA interface.
Definition tbintcca.h:45
void set_redundant(int i)
See redundant().
Definition tbintcca.h:65
int log2_shell_bound(int, int, int, int)
Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_she...
void set_integral_storage(size_t storage)
This storage is used to cache computed integrals.
void compute_shell(int, int, int, int)
Given four shell indices, integrals will be computed and placed in the buffer.
int redundant() const
If redundant is true, then keep redundant integrals in the buffer.
Definition tbintcca.h:64
This is an abstract base type for classes that compute integrals involving two electrons.
Definition tbint.h:49