| sc::EriCints(3) | MPQC | sc::EriCints(3) |
sc::EriCints - EriCints is a specialization of Int2eCints that computes electron repulsion integrals.
#include <eri.h>
Inherits sc::Int2eCints.
EriCints (Integral *, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, size_t storage)
double * buffer (TwoBodyInt::tbint_type te_type) const
Returns the location of the buffer with target integrals. void
compute_quartet (int *, int *, int *, int *)
Evaluate the target quartet of integrals.
static size_t storage_required (const Ref<
GaussianBasisSet > &b1, const Ref<
GaussianBasisSet > &b2=0, const Ref<
GaussianBasisSet > &b3=0, const Ref<
GaussianBasisSet > &b4=0)
EriCints is a specialization of Int2eCints that computes electron repulsion integrals.
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| Sun Oct 4 2020 | Version 2.3.1 |