sc::SphericalTransformComponent(3)

🦋 sc::SphericalTransformComponent — MPQC manual page, section 3, bestie edition 💅

🎀 NAME 🎀

sc::SphericalTransformComponent — this is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation. She’s the blueprint for one little piece of the transform, and yes, that name is a whole sentence. 💖

✨ SYNOPSIS ✨

#include <transform.h>

Inherited by sc::SphericalTransformComponentCCA, sc::SphericalTransformComponentCints, and sc::SphericalTransformComponentV3.

🌸 Public Member Functions 🌸

• int a () const — returns the exponent of x. The x-exponent, bestie. 💅
• int b () const — returns the exponent of y. Y-exponent, slay. ✨
• int c () const — returns the exponent of z. Z-exponent, periodt. 💖
• int cartindex () const — returns the index of the Cartesian basis function. That’s the Cartesian one, iykyk. 🦋
• int pureindex () const — returns the index solid harmonic basis function. Yes, that’s the exact phrasing — pure-index main character energy. 👑
• double coef () const — returns the coefficient of this component of the transformation. The coefficient is literally right there. 🎀
• virtual void init (int a, int b, int c, double coef, int pureindex)=0 — initialize this object. Pure virtual, so every specialization has to show up and implement it. No cap. 🔥

🧚 Protected Attributes 🧚

• double coef_
• int a_
• int b_
• int c_
• int cartindex_
• int pureindex_

🫶 DETAILED DESCRIPTION 🫶

Okay so this is a base class for a container for a component of a sparse Cartesian to solid harmonic basis function transformation. It’s giving “small but crucial piece of the basis-function transformation” energy, and honestly? Obsessed. ✨

📚 MEMBER FUNCTION DOCUMENTATION 📚

👑 init — the pure virtual one

virtual void sc::SphericalTransformComponent::init (int a, int b, int c, double coef, int pureindex) [pure virtual]

Initialize this object. This must be provided in all specializations of this class to establish the ordering between a, b and c and the index of the Cartesian basis function. Other things such as adjustment of the coefficient to account for normalization differences can be done as well. The default SphericalTransform::init() implementation requires that only the xl, yl and zl basis functions are normalized to unity.

Heads up, bestie: init is pure virtual, so all the specializations have to bring their own implementation. That’s not a vibe you can skip. 💀

Implemented in sc::SphericalTransformComponentV3, sc::SphericalTransformComponentCints, and sc::SphericalTransformComponentCCA.

🌈 AUTHOR 🌈

Generated automatically by Doxygen for MPQC from the source code.

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And that’s the footer tea, bestie: this is from the MPQC source, version 2.3.1, dated Sun Oct 4 20. 🫶✨