sc::GRTCints(3)

πŸ“¦
version 2.3.1 Β· 5 versions
, in ubuntu jammy

πŸ’– NAME πŸ’–

okay so this is the sc::GRTCints(3) page from the MPQC manual, and it's literally giving specialized linear R12 two-electron integrals πŸ’…βœ¨.

sc::GRTCints β€” GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods.


✨ SYNOPSIS ✨

#include <grt.h>

Inherits sc::Int2eCints β€” yes, that's the parent vibe, bestie.

πŸŽ€ Public Member Functions πŸŽ€

  • GRTCints constructor β€” the constructor, periodt. No extra description in the original, so I'm not gonna invent one.
GRTCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, size_t storage)
  • buffer β€” Returns the location of the buffer with target integrals. Which is exactly what it sounds like, iykyk πŸ’–
double * buffer (TwoBodyInt::tbint_type te_type) const
  • compute_quartet β€” Evaluate the target quartet of integrals. slay.
void compute_quartet (int *, int *, int *, int *)

🌈 Static Public Member Functions 🌈

  • storage_required β€” here's the signature with all the defaults: b2=0, b3=0, b4=0. No extra description in the original, so that's the whole tea.
static size_t storage_required (const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0, const Ref< GaussianBasisSet > &b3=0, const Ref< GaussianBasisSet > &b4=0)

πŸ‘‘ Additional Inherited Members πŸ‘‘

The original page has this heading but doesn't list any extra detail β€” so we're not gonna make stuff up, bestie. It's giving mystery, and we respect it. 🫢


πŸ”₯ Detailed Description πŸ”₯

GRTCints is a specialization of Int2eCints that computes two-electron integrals specific to linear R12 methods. That's the whole detailed description, and it ate.


πŸ¦‹ Author πŸ¦‹

Generated automatically by Doxygen for MPQC from the source code.

Doxygen did the typing, not me β€” iconic behavior, no cap.


Version 2.3.1 β€” Sun Oct 4 2020. Bye bestie, go compute those integrals responsibly πŸ’…βœ¨πŸ«Ά

πŸ“¦ where this page comes from