sc::OneBodyInt(3)

💖 sc::OneBodyInt(3) — the MPQC one 💖

okay so bestie, welcome to sc::OneBodyInt, a page from the MPQC manual (that's the manual name, folding it in here so you have it 🫶). It's an abstract base class for objects that compute integrals between two basis functions. That's the whole vibe. It doesn't do the math itself — it's the main character energy parent class that other integral classes inherit their whole personality from. ✨

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🌸 NAME 🌸

sc::OneBodyInt — an abstract base class for objects that compute integrals between two basis functions.

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✨ SYNOPSIS ✨

#include <obint.h>

Inherits from sc::RefCount. 🧬

Inherited by sc::DipoleIntV3, sc::EfieldDotVectorIntV3, sc::OneBodyIntCCA, sc::OneBodyIntCints, sc::OneBodyIntV3, and sc::PointChargeIntV3. The whole friend group fr fr 👑

💅 Public Member Functions

• int nbasis() const — Returns the number of basis functions on center one.
• int nbasis1() const — Returns the number of basis functions on the center one.
• int nbasis2() const — Returns the number of basis functions on the center two.
• int nshell() const — Return the number of shells on center one.
• int nshell1() const — Return the number of shells on the center one.
• int nshell2() const — Return the number of shells on the center two.
• Ref<GaussianBasisSet> basis() — Return the basis set on center one.
• Ref<GaussianBasisSet> basis1() — Return the basis set on the center one.
• Ref<GaussianBasisSet> basis2() — Return the basis set on the center two.
• const double * buffer() const — Returns the buffer where the integrals are placed. 🫙
• virtual void compute_shell(int, int)=0 — Computes the integrals between basis functions in the given shell pair. Pure virtual, so the subclasses HAVE to do this one. no skipping 💀
• virtual void reinitialize() — This is called for one body integrals that take data to let them know that the data they reference has changed. Like a lil "hey bestie, heads up, things moved" text 📱
• virtual bool cloneable() — Return true if the clone member can be called.
• virtual Ref<OneBodyInt> clone() — Returns a clone of this.
• Integral * integral() const — returns the integral pointer, iconic, no notes.

🧚 Protected Member Functions

• OneBodyInt(Integral *integral, const Ref<GaussianBasisSet> &b1, const Ref<GaussianBasisSet> &b2=0) — the constructor, catch it. Note the b2=0 default, so center two is optional ✨

🎀 Protected Attributes

• Integral * integral_ — the integral pointer, living its life
• Ref<GaussianBasisSet> bs1_ — basis set on center one
• Ref<GaussianBasisSet> bs2_ — basis set on center two
• double * buffer_ — the buffer, where the integrals go

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🦋 Detailed Description 🦋

OneBodyInt is an abstract base class for objects that compute integrals between two basis functions. Periodt. It's the blueprint, not the building — the actual integral computation gets delegated to whoever inherits it 💖

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🔥 Member Function Documentation 🔥

🌈 virtual Ref<OneBodyInt> sc::OneBodyInt::clone() [virtual]

Returns a clone of this. The default implementation throws an exception — so like, if you call it without a subclass that actually implements it, it's not gonna slay, it's gonna crash. 😭

Reimplemented in sc::OneBodyIntCCA, sc::OneBodyIntCints, and sc::OneBodyIntV3.

🌈 virtual bool sc::OneBodyInt::cloneable() [virtual]

Return true if the clone member can be called. The default implementation returns false — so by default, bestie, cloning is not on the menu 🙈

Reimplemented in sc::OneBodyIntCCA, sc::OneBodyIntCints, and sc::OneBodyIntV3.

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💜 Author 💜

Generated automatically by Doxygen for MPQC from the source code. (not me writing it by hand, the robots did that part 🤖✨)

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💀 tiny little note, bestie: clone() throwing by default and cloneable() returning false by default is the whole "look before you leap" situation — check that vibe check first, iykyk.

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🌸 okay that's the whole page, thank you for coming to my TED talk 🌸

Signed, sealed, delivered with Version 2.3.1 energy, dated Sun Oct 4 2020 — the source/version + date sign-off you asked for, served cute 🎀💜🦋