sc::G96XFunctional(3)

okay bestie, welcome to the sc::G96XFunctional(3) page from the MPQC manual — it's giving Gill 1996 exchange functional excellence, and we're gonna break it down together. no cap. 💖✨

🌸 NAME 🌸

sc::G96XFunctional — implements the Gill 1996 (G96) exchange functional. periodt. 💅

✨ SYNOPSIS ✨

#include <functional.h>

It inherits from sc::DenFunctional. iconic. 🫶

💖 Public Member Functions 💖

• G96XFunctional (const Ref< KeyVal > &) — one of the constructors, bestie. Exact signature, no edits. 🌈
• G96XFunctional (StateIn &) — the other constructor. also exact. 🦋
• void save_data_state (StateOut &) — save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. yes, that's the whole assignment. 👑
• int need_density_gradient () — a public member function, listed right here. 💜
• void point (const PointInputData &, PointOutputData &) — another public member function, exact as shown. 🎀

🌺 Protected Member Functions 🌺

• void init_constants () — protected member function. that's the entry. 🌸

🦋 Protected Attributes 🦋

• double b_ — protected attribute, exactly double b_. 💅

🍓 Additional Inherited Members 🍓

There are additional inherited members — the page just labels them as additional, so I'm not gonna invent extra tea. 🫶

🔥 Detailed Description 🔥

Implements the Gill 1996 (G96) exchange functional. slay. ✨

Citation drop: P. M. W. Gill, Mol. Phys., 89(2), pp. 433-445, 1996. 📚

💀 Member Function Documentation 💀

save_data_state moment

void sc::G96XFunctional::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. no cap, that's important. ⚠️

Reimplemented from sc::DenFunctional. periodt. 💖

👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code. 💻✨

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okay bestie, that's the whole page — this cutie is Version 2.3.1, dated Sun Oct 4 2020. mwah 💋💖