sc::OneBodyIntCints(3)

📦
version 2.3.1 · 5 versions
, in ubuntu jammy

🎀 NAME 🎀

sc::OneBodyIntCints — this implements most one body integrals in the Cints library. Periodt. ✨

This is the MPQC manual page for sc::OneBodyIntCints(3), bestie 🫶.

💅 SYNOPSIS 💅

#include <obintcints.h>

She inherits from sc::OneBodyInt. 👑

✨ Public Member Functions ✨

  • OneBodyIntCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction) — constructor, with exactly these args. No cap. 🧚
  • void set_multipole_origin (const Ref< DipoleData > &) — the multipole-origin setter, taking a const Ref< DipoleData > &.
  • void set_EdotV_origin (const Ref< EfieldDotVectorData > &) — the EdotV-origin setter, taking a const Ref< EfieldDotVectorData > &.
  • void set_Q_origin (const Ref< PointChargeData > &) — the Q-origin setter, taking a const Ref< PointChargeData > &.
  • void compute_shell (int, int) — computes the integrals between basis functions in the given shell pair. math girlie behavior. 💖
  • bool cloneable () — return true if the clone member can be called. 🦋
  • Ref< OneBodyInt > clone () — returns a clone of this. 💅

🌈 Additional Inherited Members 🌈

There are additional inherited members too — the page just doesn't spell them out here. iykyk. 💜

🔥 Detailed Description 🔥

This implements most one body integrals in the Cints library. That's the whole vibe.

It is given a function pointer to the Int1e member that computes the particular integral of interest. So she's very much “you tell me which integral, I compute it” energy. ✨

💖 Member Function Documentation 💖

Ref<OneBodyInt> sc::OneBodyIntCints::clone () [virtual]

Returns a clone of this. The default implementation throws an exception. So yeah, if you're relying on the default, it's giving “not implemented” realness. 😭

Reimplemented from sc::OneBodyInt.

bool sc::OneBodyIntCints::cloneable () [virtual]

Return true if the clone member can be called. The default implementation returns false. Vibe check: default says no. 🙈

Reimplemented from sc::OneBodyInt.

🎀 Author 🎀

Generated automatically by Doxygen for MPQC from the source code. So the author is literally Doxygen, bestie. 🤖

Cute sign-off time: this is from the MPQC source, version 2.3.1, dated Sun Oct 4 2020 — manual page sc::OneBodyIntCints(3), out. Bye bestie, go compute some integrals! 💅✨

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