sc::ElectronDensity(3)

🌸 NAME 🌸

sc::ElectronDensity — from the MPQC manual, bestie. This is a Volume that computer the electron density. Yes, “computer” is literally the word on the page, no cap. It’s giving density-volume main character energy. 💅

✨ SYNOPSIS ✨

#include <density.h>

Inherits sc::Volume.

🫶 Public Member Functions 🫶

• ElectronDensity (const Ref< KeyVal > &) — constructor that takes a KeyVal ref. 🎀
• ElectronDensity (const Ref< Wavefunction > &) — constructor that takes a Wavefunction ref. 🦋
• virtual void boundingbox (double valuemin, double valuemax, SCVector3 &p1, SCVector3 &p2) — the bounding-box hook, with valuemin, valuemax, p1, and p2 exactly as listed. 💫

🧚 Protected Member Functions 🧚

• virtual void compute () — recompute at least the results that have compute true and are not already computed. More deets under Member Function Documentation, bestie.

🦋 Protected Attributes 🦋

• Ref< Wavefunction > wfn_ — the protected wavefunction ref. That’s the whole attribute list, periodt. 💅

🌈 Additional Inherited Members 🌈

There are additional inherited members too — the original page just gives this heading, so that’s all we’re passing along here. ✨

💖 Detailed Description 💖

This is a Volume that computer the electron density. It can be used to generate isodensity surfaces. So if you’re trying to make isodensity surfaces, this is your girl. 🎀

🔥 Member Function Documentation 🔥

virtual void sc::ElectronDensity::compute () — [protected], [virtual]

Recompute at least the results that have compute true and are not already computed. This should only be called by Result's members.

Implements sc::Volume.

👑 Author 👑

Generated automatically by Doxygen for MPQC from the source code.

okay bestie, that’s the whole page — from MPQC version 2.3.1, dated Sun Oct 4 2020. mwah 💋