sc::TwoBodyThreeCenterDerivInt(3)

💖 sc::TwoBodyThreeCenterDerivInt(3) 💖

okay so bestie, you're in the MPQC manual and this page is literally about sc::TwoBodyThreeCenterDerivInt. It's an abstract base type for classes that compute three centers integrals involving two electrons. No cap. 🫶

✨ NAME ✨

sc::TwoBodyThreeCenterDerivInt — abstract base type for classes that compute three centers integrals involving two electrons. That's the whole vibe: it's a base class, not your main character implementation. 💅

🌸 SYNOPSIS 🌸

#include <tbint.h>

Inherits sc::RefCount. 🧚

🌟 Public Member Functions 🌟

• int nbasis () const — returns the number of basis functions on center one. 💖
• int nbasis1 () const — also returns the number of basis functions on center one. Yes, same center-one energy as nbasis — the docs said it twice, so we're keeping it twice. 💀
• int nbasis2 () const — returns the number of basis functions on center two. 🦋
• int nbasis3 () const — returns the number of basis functions on center three. 🌈
• int nshell () const — returns the number of shells on center one. 🎀
• int nshell1 () const — returns the number of shells on center one. Again, center one, bestie; that's what the original says. 💅
• int nshell2 () const — returns the number of shells on center two. 🌸
• int nshell3 () const — returns the number of shells on center three. ⭐
• Ref< GaussianBasisSet > basis () — returns the basis set on center one. 🧚
• Ref< GaussianBasisSet > basis1 () — returns the basis set on center one. Same center-one situation, no cap. 💖
• Ref< GaussianBasisSet > basis2 () — returns the basis set on center two. 🦋
• Ref< GaussianBasisSet > basis3 () — returns the basis set on center three. 🌈
• const double * buffer () const — the computed shell integrals get put in the buffer returned by this member. 🍓
• virtual void compute_shell (int, int, int, DerivCenters &)=0 — you give it shell indices, and this will cause the integral buffer to be filled in. It's pure virtual, so the derived class has to serve. 👑
• virtual int log2_shell_bound (int=-1, int=-1, int=-1)=0 — returns log base 2 of the maximum magnitude of any integral in a shell block. Pure virtual, bestie. 💜

🛡️ Protected Member Functions 🛡️

• TwoBodyThreeCenterDerivInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3) — the protected constructor. That's the signature, character for character. 🎀

🔒 Protected Attributes 🔒

• Integral * integral_ — protected attribute. 🧚
• Ref< GaussianBasisSet > bs1_ — protected attribute. 💖
• Ref< GaussianBasisSet > bs2_ — protected attribute. 🌸
• Ref< GaussianBasisSet > bs3_ — protected attribute. 🦋
• double * buffer_ — protected attribute. ⭐

🦋 Detailed Description 🦋

This is an abstract base type for classes that compute three centers integrals involving two electrons. Periodt. It's giving "foundation class energy" — it sets up the abstract interface, and the derived classes do the actual integral-computing main character work. 💅

💜 Member Function Documentation 💜

🌟 virtual int sc::TwoBodyThreeCenterDerivInt::log2_shell_bound (int = -1, int = -1, int = -1) [pure virtual] 🌟

Returns log base 2 of the maximum magnitude of any integral in a shell block. If any argument is -1, that indicates any shell. So -1 is the "idc, pick any shell" vibe. 🙈

🌈 Author 🌈

Generated automatically by Doxygen for MPQC from the source code. 💖

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okay bestie, that's the whole page! This is MPQC documentation, version 2.3.1, dated Sun Oct 4 202 in the footer — and the original footer just cuts off right there, so we're not inventing the rest, periodt. Bye bestie, go compute those integrals responsibly! 🫶💅✨