sc::NewP86CFunctional(3)

💅 sc::NewP86CFunctional(3) — from the MPQC manual, bestie

okay so this is a page straight out of the MPQC manual (that's sc::NewP86CFunctional(3) if you're being formal 👑) and it's literally all about one little class. it's a density functional thingy. let's get into it ✨

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🌸 NAME 🌸

sc::NewP86CFunctional — that's it, that's the name, no cap 🎀

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🦋 SYNOPSIS 🦋

so first thing u need to know: this class inherits sc::DenFunctional. it's giving "part of the family" energy 💖

✨ Public Member Functions ✨

• NewP86CFunctional (const Ref< KeyVal > &) — constructor #1, takes a Ref< KeyVal > 💅
• NewP86CFunctional (StateIn &) — constructor #2, takes a StateIn & 🫶
• void save_data_state (StateOut &) — saves stuff. like, the whole state. we'll get into the details down below ⬇️
• int need_density_gradient () — returns an int, tells u whether a density gradient is needed 👀
• void point (const PointInputData &, PointOutputData &) — the point function, takes a const PointInputData & and a PointOutputData & 🌸

🎀 Protected Member Functions 🎀

• void init_constants () — sets up those constants, obviously ✨
• double rho_deriv (double rho_a, double rho_b, double mdr) — derivative w.r.t. rho, takes rho_a, rho_b, and mdr, returns a double 💜
• double gab_deriv (double rho_a, double rho_b, double mdr) — same arguments (rho_a, rho_b, mdr), returns a double too 🦋

🌈 Protected Attributes 🌈

a whole lil squad of doubles, all protected, all iconic:

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

like. C1 through C7. seven of them. main character constants fr fr 🔥

⭐ Additional Inherited Members ⭐

there's also some additional inherited members — they come with the inheritance, iykyk 💫

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💖 Member Function Documentation 💖

🌷 void sc::NewP86CFunctional::save_data_state (StateOut &) [virtual] 🌷

okay so here's the deal, bestie: this one saves the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. order matters, don't play with it 🫶

and the tea: this must be implemented by the derived class if the class has data. no data? ur off the hook. has data? u gotta implement it. periodt 💅

it's reimplemented from sc::DenFunctional — so the base class had a version, and this one is the glow-up ✨

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👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code.

so like, a robot wrote this. and honestly? it ate. 🤖💖

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💀 friendly reminder bestie: everything above came straight from the source — the save_data_state ordering rule is real, not a vibe, so don't go messing with that member order or the StateIn CTOR will be very upset with u 😭

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and that's the whole page!! mwah 💋 this was Version 2.3.1, dated Sun Oct 4 2020 — so yeah, she's a lil vintage, but she still slays 🌸💅🦋