sc::VWN2LCFunctional(3)

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version 2.3.1 · 5 versions
, in ubuntu jammy

💖 sc::VWN2LCFunctional(3) — an MPQC manual page 💖

okay so this is the sc::VWN2LCFunctional(3) page from the MPQC manual, and it's all about the VWN2 local correlation term. Let's get into it, bestie 🫶

🌟 NAME 🌟

The sc::VWN2LCFunctional is literally the class that computes energies and densities using the VWN2 local correlation term — and yes, that term is from Vosko, Wilk, and Nusair. No cap. 💅

✨ SYNOPSIS ✨

#include <functional.h>

Inherits sc::VWNLCFunctional.

🌸 Public Member Functions 🌸

  • VWN2LCFunctional () — Builds you a VWN2 functional. Constructor behavior, slay.
  • VWN2LCFunctional (const Ref< KeyVal > &) — Another constructor for a VWN2 functional — this one takes a const Ref< KeyVal > &.
  • VWN2LCFunctional (StateIn &) — Constructor that takes a StateIn &; the page doesn't add more description than that.
  • void save_data_state (StateOut &) — Saves the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. Order matters, bestie.
  • void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) — Takes const PointInputData &, PointOutputData &, and three double & references. The original page gives no extra description here — respect the mystery 🔥

🦋 Additional Inherited Members 🦋

Yep, this section exists too — there are additional inherited members in the class hierarchy. The original page keeps this heading without listing them out here.

💅 Detailed Description 💅

The VWN2LCFunctional computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair).

That's the detailed description, and honestly it ate. ✨

🔥 Member Function Documentation 🔥

void sc::VWN2LCFunctional::save_data_state (StateOut &) [virtual]

It saves the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

Heads up: this must be implemented by the derived class if the class has data. That's a real requirement, not a vibe — don't skip it.

Reimplemented from sc::VWNLCFunctional.

👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code. So the "author" here is Doxygen doing its little automatic thing, lowkey iconic.

This page comes from the MPQC source code, and its footer says Version 2.3.1, dated Sun Oct 4 2020 — cute sign-off, byeee bestie 💅✨🎀

📦 where this page comes from