sc::TwoBodyDerivIntCints(3)

🎀 NAME 🎀

sc::TwoBodyDerivIntCints — bestie, this is the MPQC manual page for it, and it implements electron repulsion derivative integrals in the IntV3 library. Periodt. 💅

✨ SYNOPSIS ✨

Okay so first, the include:

#include <tbintcints.h>

And it inherits sc::TwoBodyDerivInt.

🌸 Public Member Functions 🌸

• TwoBodyDerivIntCints — the constructor, and here’s the exact signature so you can copy it character-for-character:

TwoBodyDerivIntCints (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, tbinteval int2etype)

• 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.
• size_t used_storage () const — the page lists this one as a public member function, and gives no extra description here.

🦋 Protected Attributes 🦋

• Ref< Int2eCints > int2ecints_ — protected attribute, exactly as shown.

🌈 Additional Inherited Members 🌈

The page has this heading too — no extra member details are spelled out in this section.

💖 DETAILED DESCRIPTION 💖

This implements electron repulsion derivative integrals in the IntV3 library. Iconic. ✨

🔥 MEMBER FUNCTION DOCUMENTATION 🔥

int sc::TwoBodyDerivIntCints::log2_shell_bound (int, int, int, int)

Tagged [virtual]. Return log base 2 of the maximum magnitude of any integral in a shell block. And the important little caveat: An index of -1 for any argument indicates any shell. 🫶

Implements sc::TwoBodyDerivInt.

🌸 AUTHOR 🌸

Generated automatically by Doxygen for MPQC from the source code.

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Okay signing off, bestie 💜: MPQC version 2.3.1, dated Sun Oct 4 2020 🫶