sc::LYPCFunctional(3)

💖 NAME 💖

Okay bestie, this is the page for sc::LYPCFunctional(3) from the MPQC manual. sc::LYPCFunctional — Implements the Lee, Yang, and Parr functional. Periodt. ✨

✨ SYNOPSIS ✨

Include this:

#include <functional.h>

Inherits sc::DenFunctional. 💅

🌸 Public Member Functions 🌸

• LYPCFunctional (const Ref< KeyVal > &) — constructor that takes a const Ref< KeyVal > &.
• LYPCFunctional (StateIn &) — constructor that takes a StateIn &.
• 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. Full tea below. 🫖
• int need_density_gradient () — returns an int; that's the signature, no extra notes on this page.
• void point (const PointInputData &, PointOutputData &) — takes a const PointInputData & and a PointOutputData &, returns void.

🛡️ Protected Member Functions 🛡️

• void init_constants () — protected member function, right there in the list.

🔒 Protected Attributes 🔒

• double a_ — protected attribute.
• double b_ — protected attribute.
• double c_ — protected attribute.
• double d_ — protected attribute.

🫶 Additional Inherited Members 🫶

There's an Additional Inherited Members section on this page, and it doesn't spell out any further names here. It's just giving inherited-members energy. 💫

🌈 Detailed Description 🌈

sc::LYPCFunctional implements the Lee, Yang, and Parr functional. No cap, that's the whole vibe of the class.

The citations, exactly as they appear:

B. Miehlich, A. Savin, H. Stoll and H. Preuss, Chem. Phys. Lett., 157(3), pp. 200-206, 1989.

C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B, 37(2), pp 785-789, 1988.

🔥 Member Function Documentation 🔥

void sc::LYPCFunctional::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.

This must be implemented by the derived class if the class has data. 💀

Reimplemented from sc::DenFunctional.

👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code.

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That's the whole page, bestie — from MPQC, Version 2.3.1, dated Sun Oct 4 2020. Stay iconic! 💖✨🫶