sc::TwoBodyIntCCA(3)

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version 2.3.1 · 5 versions
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🦋 sc::TwoBodyIntCCA

okay bestie, welcome to the MPQC manual, section 3 — this is the page for sc::TwoBodyIntCCA, and we're gonna make it make sense. no cap. 💅

🌸 NAME 🌸

sc::TwoBodyIntCCA — this implements two body integrals through the CCA interface. that's the whole name section, short and iconic. ✨

✨ SYNOPSIS ✨

#include <tbintcca.h>

Inherits sc::TwoBodyInt. periodt.

💅 Public Member Functions

  • TwoBodyIntCCA (Integral *, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage, IntegralEvaluatorFactory, bool, string) — the constructor, with exactly those args, bestie. yes, all of them. don't skip a single one. 🫶
  • int log2_shell_bound (int, int, int, int) — Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. lowkey important. 🔥
  • void compute_shell (int, int, int, int) — Given four shell indices, integrals will be computed and placed in the buffer. main character function energy. 👑
  • size_t storage_used () — this one is listed with no extra description, so we're just gonna hold space for it. no invented lore. 💀
  • void set_integral_storage (size_t storage) — This storage is used to cache computed integrals.
  • int redundant () const — If redundant is true, then keep redundant integrals in the buffer.
  • void set_redundant (int i) — See redundant().

🔒 Protected Attributes

  • Ref< Int2eCCA > int2ecca_ — protected attribute, sitting there being all protected and CCA-coded. 🧚

🧬 Additional Inherited Members

There are additional inherited members. the page just says Additional Inherited Members and does not list them out, so we're not gonna make stuff up. iykyk. 🦋

🌈 Detailed Description 🌈

This implements two body integrals through the CCA interface.

that's it. that's the detailed description. it ate and left no crumbs. 💖

💖 Member Function Documentation 💖

void sc::TwoBodyIntCCA::compute_shell (int, int, int, int) [virtual]

Given four shell indices, integrals will be computed and placed in the buffer. The first two indices correspond to electron 1 and the second two indices correspond to electron 2.

Implements sc::TwoBodyInt.

int sc::TwoBodyIntCCA::log2_shell_bound (int, int, int, int) [virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. An index of -1 for any argument indicates any shell.

Implements sc::TwoBodyInt.

int sc::TwoBodyIntCCA::redundant () const [inline], [virtual]

If redundant is true, then keep redundant integrals in the buffer. The default is true.

Reimplemented from sc::TwoBodyInt.

🌟 Author 🌟

Generated automatically by Doxygen for MPQC from the source code.

okay that's the whole page, bestie. cute sign-off time: this was MPQC, version 2.3.1, dated Sun Oct 4 2020 — mwah, bye! 💋🎀🫶

📦 where this page comes from