sc::TwoBodyDerivIntV3(3)

✨ NAME ✨

Okay bestie, welcome to the sc::TwoBodyDerivIntV3(3) page — this is the MPQC manual for sc::TwoBodyDerivIntV3, and it implements electron repulsion derivative integrals in the IntV3 library. That's the whole NAME vibe, periodt. 💅

✨ SYNOPSIS ✨

First up, the include situation:

#include <tbintv3.h>

And the inheritance tea: inherits sc::TwoBodyDerivInt.

🫶 Public Member Functions

• TwoBodyDerivIntV3 — the constructor, bestie. Here's the full signature, exactly:

TwoBodyDerivIntV3 (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage)

• int log2_shell_bound (int, int, int, int) — returns log base 2 of the maximum magnitude of any integral in a shell block.
• void compute_shell (int, int, int, int, DerivCenters &) — given the shell indices, this will cause the integral buffer to be filled in.
• size_t storage_used () — this one's in the member list too; no extra description on this page.

🎀 Protected Attributes

• Ref< Int2eV3 > int2ev3_ — protected attribute, and yes, that underscore is part of the name.

🌸 Additional Inherited Members

The page also has an Additional Inherited Members note. That's the whole mention here, bestie — no extra list on this page.

💜 Detailed Description 💜

Same energy as NAME, but here it is again: This implements electron repulsion derivative integrals in the IntV3 library. ✨

🦋 Member Function Documentation 🦋

🌈 int sc::TwoBodyDerivIntV3::log2_shell_bound (int, int, int, int) [virtual]

It returns log base 2 of the maximum magnitude of any integral in a shell block. An index of -1 for any argument indicates any shell. iykyk.

Implements sc::TwoBodyDerivInt.

✨ Author ✨

Generated automatically by Doxygen for MPQC from the source code. No cap, that's the author line. 🫶

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Okay bestie, that's the whole manual page for sc::TwoBodyDerivIntV3(3). The footer energy is Version 2.3.1, dated Sun Oct 4 2020, from MPQC — and the author line stays literally: Generated automatically by Doxygen for MPQC from the source code. 🎀💖