This implements electron repulsion derivative integrals in the IntV3 library.
Definition: tbintv3.h:100
This is an abstract base type for classes that compute integrals involving two electrons in two Gauss...
Definition: tbint.h:244
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...
This implements electron repulsion integrals in the IntV3 library.
Definition: tbintv3.h:37
void set_integral_storage(size_t storage)
This storage is used to cache computed integrals.
Integral * integral() const
Return the integral factory that was used to create this object.
Definition: tbint.h:141
This is an abstract base type for classes that compute integrals involving two electrons.
Definition: tbint.h:49
void compute_shell(int, int, int, int)
Given four shell indices, integrals will be computed and placed in the buffer.
This is an abstract base type for classes that compute integrals involving two electrons in three Gau...
Definition: tbint.h:150
This is an abstract base type for classes that compute integrals involving two electrons.
Definition: tbint.h:422
This implements electron repulsion integrals involving two centers in the IntV3 library.
Definition: tbintv3.h:80
This implements electron repulsion integrals involving three centers in the IntV3 library...
Definition: tbintv3.h:59