sc::VWN1LCFunctional(3)

🌸 NAME 🌸

okay so this is the MPQC manual page for sc::VWN1LCFunctional(3), and bestie, it's giving local correlation realness 💅

sc::VWN1LCFunctional — the class that computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair). Periodt. ✨

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✨ SYNOPSIS ✨

#include <functional.h>

Inherits sc::VWNLCFunctional.

🎀 Public Member Functions

• VWN1LCFunctional () — Construct a VWN1 functional using Monte-Carlo parameters. 💖
• VWN1LCFunctional (int use_rpa) — Construct a VWN1 functional using the RPA parameters.
• VWN1LCFunctional (const Ref< KeyVal > &) — Construct a VWN1 functional using the Monte-Carlo parameters by default.
• VWN1LCFunctional (StateIn &) — the state-in constructor, and that's literally all the original says about this one, bestie.
• 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. 🫶
• void point_lc (const PointInputData &, PointOutputData &, double &, double &, double &) — iconic signature behavior, no extra blurb attached.

🔒 Protected Attributes

these protected attrs are lowkey the main characters of the data section:

• double x0p_
• double bp_
• double cp_
• double x0f_
• double bf_
• double cf_

🌈 Additional Inherited Members

yep, this page has an Additional Inherited Members section for the inherited extras. The heading is there, bestie, and that's the vibe check. ✨

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💜 Detailed Description

The VWN1LCFunctional computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair). no cap, that's the whole description and it ate. 💅

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🧚 Constructor & Destructor Documentation

🎀 sc::VWN1LCFunctional::VWN1LCFunctional (const Ref< KeyVal > &)

Construct a VWN1 functional using the Monte-Carlo parameters by default. If rpa is set to true, then load the RPA paramenters. Furthermore, each value can be overridden by assigning to x0p, bp, cp, x0f, bf, and/or cf. 👑

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💅 Member Function Documentation

🦋 void sc::VWN1LCFunctional::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::VWNLCFunctional. fr fr, important inherited detail. 🌟

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🌸 Author

Generated automatically by Doxygen for MPQC from the source code. not me being generated by Doxygen and still serving looks 😭💖

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💖 cute little version/date sign-off: this is MPQC Version 2.3.1, dated Sun Oct 4 2020. Bye bestie — go compute those energies and densities! 🫶✨