sc::OneBodyOneCenterInt(3)

📦
version 2.3.1 · 5 versions
, in ubuntu jammy

💖 NAME 💖

okay bestie, welcome to the sc::OneBodyOneCenterInt(3) page from the MPQC manual 💅 sc::OneBodyOneCenterInt is an abstract base class for objects that compute integrals between two basis functions. no cap, that's the whole name vibe ✨

🦋 SYNOPSIS 🦋

#include <obint.h>

Inherits sc::RefCount.

Inherited by sc::OneBodyOneCenterWrapper.

👑 Public Member Functions

  • int nbasis () const — Returns the number of basis functions on center one. 🎀
  • int nbasis1 () const — Returns the number of basis functions on the center one. 🎀
  • int nshell () const — Return the number of shells on center one. 🌸
  • int nshell1 () const — Return the number of shells on the center one. 🌸
  • Ref< GaussianBasisSet > basis () — Return the basis set on center one. 🧚
  • Ref< GaussianBasisSet > basis1 () — Return the basis set on the center one. 🧚
  • const double * buffer () const — Returns the buffer where the integrals are placed. 🍓
  • virtual void compute_shell (int)=0 — Computes the integrals for basis functions on the given shell. 🔥
  • virtual void reinitialize () — This is called for one body integrals that take data to let them know that the data they reference has changed. 💫
  • virtual bool cloneable () — Return true if the clone member can be called. ✅
  • virtual Ref< OneBodyOneCenterInt > clone () — Returns a clone of this. 🫶
  • Integral * integral () const — no description in the original, just this exact signature, periodt 💅

🔒 Protected Member Functions

  • OneBodyOneCenterInt (Integral *integral, const Ref< GaussianBasisSet > &b1) — the protected constructor, exact signature as listed 🎀

🗝️ Protected Attributes

  • Integral * integral_
  • Ref< GaussianBasisSet > bs1_
  • double * buffer_

🌈 Detailed Description 🌈

OneBodyOneCenterInt is an abstract base class for objects that compute integrals between two basis functions. literally the whole detailed description, bestie 💖

😭 Member Function Documentation 😭

virtual Ref<OneBodyOneCenterInt> sc::OneBodyOneCenterInt::clone () [virtual]

Returns a clone of this. The default implementation throws an exception. 😭🔥

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

Return true if the clone member can be called. The default implementation returns false. 💀✅

🫶 Author 🫶

Generated automatically by Doxygen for MPQC from the source code. not me being auto-generated and still iconic 💅✨

Sign-off time: this page is from MPQC version 2.3.1, dated Sun Oct 4 2020 — mwah, bye bestie! 💖🎀🦋

📦 where this page comes from