sc::SphericalTransformComponentV3(3)

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version 2.3.1 Β· 4 versions
, in ubuntu jammy

πŸ’« sc::SphericalTransformComponentV3(3) β€” MPQC manual page, bestie edition πŸ’«

okay so picture this: it's a Tuesday, you're deep in MPQC land (that's the manual this page lives in, mwah πŸ’–), and you've stumbled onto sc::SphericalTransformComponentV3. She's a class. She's iconic. Let's get into it πŸŽ€


✨ NAME ✨

sc::SphericalTransformComponentV3 β€” the V3 flavor of the spherical transform component squad, and yes she's got main character energy πŸ‘‘


πŸ¦‹ SYNOPSIS πŸ¦‹

Hear me out β€” she inherits from sc::SphericalTransformComponent. So everything the parent class has? Yeah, she's got it too. Family money, fr fr πŸ’…

🌸 Public Member Functions 🌸

  • void init (int a, int b, int c, double coef, int pureindex) β€” the one (1) job she has on this page: initialize this object. Slay ✨

🌈 Additional Inherited Members 🌈

Everything else? Inherited, babe. She's not reinventing the wheel, she's just doing her little part 🫢


πŸ’œ MEMBER FUNCTION DOCUMENTATION πŸ’œ

πŸ“ void sc::SphericalTransformComponentV3::init (int a, int b, int c, double coef, int pureindex) [inline], [virtual]

Okay so this is the method, and listen β€” Initialize this object. That's the assignment. That's the whole vibe πŸ’€

But like, lowkey important details incoming:

This method 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. So it's not optional, bestie, it's giving mandatory βœ‹

Other things, such as adjustment of the coef to account for normalization differences, can be done as well. Cute little bonus tasks, you know? πŸŽ€

⚠️ Heads up! The default SphericalTransform::init() implementation requires that only the xl , yl and zl basis functions are normalized to unity. Like, that's the rule, no cap 🫑

She implements sc::SphericalTransformComponent β€” proud daughter of the component class, honestly πŸ’–

References: sc::SphericalTransformComponent::a(), sc::SphericalTransformComponent::b(), sc::SphericalTransformComponent::c(), sc::SphericalTransformComponent::coef(), and sc::SphericalTransformComponent::pureindex(). All her little reference besties, they're all linked up πŸ”—


πŸ‘‘ AUTHOR πŸ‘‘

Generated automatically by Doxygen for MPQC from the source code. Not a human author, just the machine doing its thing, and honestly? She ate πŸ€–βœ¨


πŸ’Œ the cute sign-off πŸ’Œ

and that's the teaaa 🍡 β€” this page is from MPQC, version 2.3.1, and the footer date on the original is Sun Oct 4. Bookmark her, cite her, love her. bye bestie, mwah πŸ’‹πŸŒˆπŸ’œ

πŸ“¦ where this page comes from