sc::VWNLCFunctional(3)

📦
version 2.3.1 · 5 versions
, in ubuntu jammy

💅 sc::VWNLCFunctional — like, the manual, bestie

okay so this is a page from MPQC (yes, the whole manual, we're doing this) and it's all about sc::VWNLCFunctional. buckle up 🎀

✨ NAME ✨

sc::VWNLCFunctional — an abstract base class, and the way it works is that all the different VWN (that's Vosko, Wilk and Nusair, say it with me 💅) local correlation functional classes (1, 2, 3, 4, 5) are derived from it. she's the mother, basically. main character energy fr.

🌸 SYNOPSIS 🌸

#include <functional.h>

Inherits sc::LSDACFunctional. so she's got a whole family tree already, iconic.

Inherited by sc::VWN1LCFunctional, sc::VWN2LCFunctional, sc::VWN3LCFunctional, sc::VWN4LCFunctional, and sc::VWN5LCFunctional. yes bestie, five whole children. she's that mom 🫶

💖 Public Member Functions

  • VWNLCFunctional (const Ref< KeyVal > &) — constructor, the one that takes a KeyVal ref.
  • VWNLCFunctional (StateIn &) — constructor that reads her back in from a StateIn.
  • void save_data_state (StateOut &) — saves the base classes (with save_data_state) plus the members, in exactly the same order that the StateIn CTOR initializes them. order matters, do not play with her 🔥
  • virtual void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) — the virtual point_lc situation.

🦋 Protected Member Functions

  • void init_constants () — sets up the constants.
  • double F (double x, double A, double x0, double b, double c) — the F function, taking x, A, x0, b, c.
  • double dFdr_s (double x, double A, double x0, double b, double c) — and this one's the same args, it's giving derivative vibes.

⭐ Protected Attributes

literally all of these are double, no cap:

  • Ap_
  • Af_
  • A_alpha_
  • x0p_mc_
  • bp_mc_
  • cp_mc_
  • x0f_mc_
  • bf_mc_
  • cf_mc_
  • x0p_rpa_
  • bp_rpa_
  • cp_rpa_
  • x0f_rpa_
  • bf_rpa_
  • cf_rpa_
  • x0_alpha_mc_
  • b_alpha_mc_
  • c_alpha_mc_
  • x0_alpha_rpa_
  • b_alpha_rpa_
  • c_alpha_rpa_

twenty-one doubles. she's thorough 🍓

🌈 Additional Inherited Members

yep, there's more stuff inherited from the parent classes — go look at those pages, iykyk.

👑 Detailed Description 👑

okay so real talk: sc::VWNLCFunctional is an abstract base class, and all the various VWN (Vosko, Wilk and Nusair) local correlation functional classes (1, 2, 3, 4, 5) are derived from it. that's the whole vibe. she doesn't do the work herself, she just sets the standard 💅

and here's the citation, keep it safe:

S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, pp. 1200-1211, 1980.

like, actual physics literature. we love a scholarly icon 📚✨

🧚 Member Function Documentation 🧚

💜 void sc::VWNLCFunctional::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. and bestie, listen: this must be implemented by the derived class if the class has data. no data, no problem — but if there's data, you have to implement it, fr fr.

Reimplemented from sc::LSDACFunctional.

Reimplemented in sc::VWN5LCFunctional, sc::VWN4LCFunctional, sc::VWN3LCFunctional, sc::VWN2LCFunctional, and sc::VWN1LCFunctional.

the whole girl gang reimplemented it. obsessed 😭💖

🎀 Author 🎀

Generated automatically by Doxygen for MPQC from the source code. so nobody wrote this page by hand, the robot did it. still ate tho 💀

and that's the tea, bestie 🦋 this was Version 2.3.1, dated Sun Oct 4 2020, brought to you by the MPQC source — mwah, go read the other pages now 💋✨🌸

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