sc::P86CFunctional(3)

💖 NAME

Meet sc::P86CFunctional(3) — yes bestie, this is the MPQC manual page for it. It implements the Perdew 1986 (P86) correlation functional. 🫶

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✨ SYNOPSIS

#include <functional.h>

Inherits sc::DenFunctional.

💅 Public Member Functions

• P86CFunctional (const Ref< KeyVal > &) — the constructor that takes a Ref< KeyVal >.
• P86CFunctional (StateIn &) — the constructor that takes a StateIn &.
• void save_data_state (StateOut &) — saves state; full details below, bestie. 💾
• int need_density_gradient () — the int-returning need_density_gradient () member function.
• void point (const PointInputData &, PointOutputData &) — the point member function with these exact arguments.

🫶 Protected Member Functions

• void init_constants () — protected member function for initializing constants. ✨

🎀 Protected Attributes

• double a_
• double C1_
• double C2_
• double C3_
• double C4_
• double C5_
• double C6_
• double C7_

🧚 Additional Inherited Members

Yep, there are additional inherited members — that’s literally the label for them on the original page. 🫶

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🌈 Detailed Description

It implements the Perdew 1986 (P86) correlation functional. That’s the main-character description, no cap. 💅

The references are:

• J. P. Perdew, Phys. Rev. B, 33(12), pp. 8822-8824.
• J. P. Perdew, Phys. Rev. B. 34(10), pp. 7406.

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⭐ Member Function Documentation

💫 void sc::P86CFunctional::save_data_state (StateOut &) [virtual]

Bestie, this one is the state-saving icon: it saves 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.

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👑 Author

Generated automatically by Doxygen for MPQC from the source code. 🫡

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xoxo 💜 — MPQC manual page, Version 2.3.1, dated Sun Oct 4 2020.