SC_GAUSSLEGENDREANGULARINTEGRATOR(3)

📦
version 2.3.1 · 5 versions
, in ubuntu jammy

💅 sc::GaussLegendreAngularIntegrator 💅

okay bestie, so this is a page from the MPQC manual — literally the sc::GaussLegendreAngularIntegrator(3) page, and it's giving "niche computational chemistry realness" 🧪✨. Buckle up, because we're about to make an angular integrator make sense, and honestly? It's lowkey iconic.

✨ NAME ✨

sc::GaussLegendreAngularIntegrator — an implementation of an angular integrator using the Gauss-Legendre weights and grid points. That's the whole vibe. Periodt. 🎀

🌸 SYNOPSIS 🌸

First things first, you gotta include the header, bestie:

#include <integrator.h>

And plot twist — this class Inherits sc::AngularIntegrator. Like, it's part of the family. Family tree matters, iykyk. 🫶

💖 DESCRIPTION 💖

So basically, sc::GaussLegendreAngularIntegrator is an implementation of an angular integrator using the Gauss-Legendre weights and grid points. That's it, that's the tea. ☕ It's doing angular integration things with Gauss-Legendre math, and it's the whole point of the class. Slay.

👑 CONSTRUCTOR & DESTRUCTOR DOCUMENTATION 👑

🦋 sc::GaussLegendreAngularIntegrator::GaussLegendreAngularIntegrator (const Ref< KeyVal > &)

This bad boy contracts a GaussLegendreAngularIntegrator from KeyVal input. Subtext, though: this class is for testing, okay? The LebedevLaikovIntegrator is preferred for normal use. So like, don't make it your main character unless you're testing. 🙈

The following parameters are read:

  • ntheta
  • nphi
  • Ktheta

Those three. That's the list. Don't forget 'em. ✨

🔥 MEMBER FUNCTION DOCUMENTATION 🔥

void sc::GaussLegendreAngularIntegrator::save_data_state (StateOut &) — [virtual]

This one saves the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. Order matters, bestie — do not mess with it. 😤

Here's the hard rule: this must be implemented by the derived class if the class has data. No data, no problem; data? You're implementing this, periodt.

Reimplemented from sc::AngularIntegrator. 💅

🌈 PROTECTED MEMBER FUNCTIONS 🌈

okay so these are the protected ones — the inner circle. Here's the full roster, no skips, no cuts:

  • int get_ntheta (void) const
  • void set_ntheta (int i)
  • int get_nphi (void) const
  • void set_nphi (int i)
  • int get_Ktheta (void) const
  • void set_Ktheta (int i)
  • int get_ntheta_r (void) const
  • void set_ntheta_r (int i)
  • int get_nphi_r (void) const
  • void set_nphi_r (int i)
  • int get_Ktheta_r (void) const
  • void set_Ktheta_r (int i)
  • int nw (void) const
  • double sin_theta (SCVector3 &point) const
  • void gauleg (double x1, double x2, int n)

Getters and setters galore, plus nw, sin_theta, and gauleg. It's giving "internal machinery that runs the whole operation." 💀

🍓 PROTECTED ATTRIBUTES 🍓

The protected attributes, aka the data girlies:

  • int ntheta_
  • int nphi_
  • int Ktheta_
  • int ntheta_r_
  • int nphi_r_
  • int Ktheta_r_
  • double * theta_quad_weights_
  • double * theta_quad_points_

That's the complete list. Memorize it or at least screenshot it. 📸

⭐ ADDITIONAL INHERITED MEMBERS ⭐

There are additional inherited members too — this class didn't come to play alone, it's part of a whole ecosystem. 🌍

💜 DETAILED DESCRIPTION 💜

An implementation of an angular integrator using the Gauss-Legendre weights and grid points. Yes, we said it in the NAME section and we're saying it again because it's literally the whole description. Repetition is a valid aesthetic. 💅

🧚 AUTHOR 🧚

Generated automatically by Doxygen for MPQC from the source code. Not a human author, a whole robot over here doing the most. 🤖✨

🎀 SIGN-OFF 🎀

This page was brought to you by Version 2.3.1 and dated Sun Oct 4 — and that's the whole footer, folded up all cute at the end like a little bow. 🎀 Bye bestie, go integrate those angles! 🌟🫶💖

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